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/NTUJDW-2155d89e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-2155d89e/inputs/seq.fa: 1
curr_seq: _GGGGCCGGGGCCGGGGCCGGGGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGCCGGGGCCGGGGCCGGGGCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/NTUJDW-2155d89e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-2155d89e/inputs/seq.fa: 1
curr_seq: _GGGGCCGGGGCCGGGGCCGGGGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGCCGGGGCCGGGGCCGGGGCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/NTUJDW-2155d89e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-2155d89e/inputs/seq.fa: 1
curr_seq: _GGGGCCGGGGCCGGGGCCGGGGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGCCGGGGCCGGGGCCGGGGCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/NTUJDW-2155d89e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-2155d89e/inputs/seq.fa: 1
curr_seq: _GGGGCCGGGGCCGGGGCCGGGGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGCCGGGGCCGGGGCCGGGGCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/NTUJDW-2155d89e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-2155d89e/inputs/seq.fa: 1
curr_seq: _GGGGCCGGGGCCGGGGCCGGGGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGCCGGGGCCGGGGCCGGGGCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/NTUJDW-2155d89e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-2155d89e/inputs/seq.fa: 1
curr_seq: _GGGGCCGGGGCCGGGGCCGGGGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGCCGGGGCCGGGGCCGGGGCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/NTUJDW-2155d89e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-2155d89e/inputs/seq.fa: 1
curr_seq: _GGGGCCGGGGCCGGGGCCGGGGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGCCGGGGCCGGGGCCGGGGCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/NTUJDW-2155d89e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-2155d89e/inputs/seq.fa: 1
curr_seq: _GGGGCCGGGGCCGGGGCCGGGGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGCCGGGGCCGGGGCCGGGGCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/NTUJDW-2155d89e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-2155d89e/inputs/seq.fa: 1
curr_seq: _GGGGCCGGGGCCGGGGCCGGGGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGCCGGGGCCGGGGCCGGGGCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/NTUJDW-2155d89e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NTUJDW-2155d89e/inputs/seq.fa: 1
curr_seq: _GGGGCCGGGGCCGGGGCCGGGGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGGCCGGGGCCGGGGCCGGGGCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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: -89.668855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668855 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -89.668855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668855 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -89.668855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668855 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -89.668855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668855 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -89.668855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668855 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -89.668855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668855 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -89.668855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668855 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -89.668855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668855 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -89.668855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668855 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -89.668855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668855 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -174.402868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.402868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.402868 (E_RNA)
where:
Base-Base interactions energy: -98.099
where: short stacking energy: -61.195
Base-Backbone interact. energy: -0.623
local terms energy: -75.680492
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -191.054181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.054181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.054181 (E_RNA)
where:
Base-Base interactions energy: -113.938
where: short stacking energy: -77.923
Base-Backbone interact. energy: -0.064
local terms energy: -77.052165
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -12.743
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: 2
Temperature: 1.000000
Total energy: -154.662216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.662216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.662216 (E_RNA)
where:
Base-Base interactions energy: -84.376
where: short stacking energy: -73.223
Base-Backbone interact. energy: -0.243
local terms energy: -70.043489
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -142.730058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.730058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.730058 (E_RNA)
where:
Base-Base interactions energy: -79.707
where: short stacking energy: -55.555
Base-Backbone interact. energy: -0.062
local terms energy: -62.960936
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -122.849676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.849676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.849676 (E_RNA)
where:
Base-Base interactions energy: -53.261
where: short stacking energy: -52.141
Base-Backbone interact. energy: -0.024
local terms energy: -69.564783
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -8.416
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -130.840486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.840486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.840486 (E_RNA)
where:
Base-Base interactions energy: -61.059
where: short stacking energy: -61.059
Base-Backbone interact. energy: -0.076
local terms energy: -69.705954
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -151.213838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.213838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.213838 (E_RNA)
where:
Base-Base interactions energy: -82.226
where: short stacking energy: -41.079
Base-Backbone interact. energy: -0.246
local terms energy: -68.742509
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -121.413571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.413571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.413571 (E_RNA)
where:
Base-Base interactions energy: -55.601
where: short stacking energy: -53.541
Base-Backbone interact. energy: -0.087
local terms energy: -65.725481
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -10.329
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -114.826443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.826443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.826443 (E_RNA)
where:
Base-Base interactions energy: -56.820
where: short stacking energy: -56.820
Base-Backbone interact. energy: 2.365
local terms energy: -60.371924
where:
bonds (distance) C4'-P energy: -8.870
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -95.458163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.458163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.458163 (E_RNA)
where:
Base-Base interactions energy: -45.167
where: short stacking energy: -39.177
Base-Backbone interact. energy: -0.048
local terms energy: -50.243493
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -202.133048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.133048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.133048 (E_RNA)
where:
Base-Base interactions energy: -117.505
where: short stacking energy: -83.732
Base-Backbone interact. energy: -0.694
local terms energy: -83.934028
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -19.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -209.454604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.454604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.454604 (E_RNA)
where:
Base-Base interactions energy: -118.509
where: short stacking energy: -90.615
Base-Backbone interact. energy: -0.295
local terms energy: -90.651085
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -22.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -205.675411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.675411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.675411 (E_RNA)
where:
Base-Base interactions energy: -127.492
where: short stacking energy: -79.552
Base-Backbone interact. energy: -0.582
local terms energy: -77.601407
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -153.184592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.184592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.184592 (E_RNA)
where:
Base-Base interactions energy: -73.610
where: short stacking energy: -73.610
Base-Backbone interact. energy: -0.030
local terms energy: -79.545081
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -9.218
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -188.044559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.044559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.044559 (E_RNA)
where:
Base-Base interactions energy: -113.567
where: short stacking energy: -67.651
Base-Backbone interact. energy: -0.124
local terms energy: -74.353377
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -221.741602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.741602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.741602 (E_RNA)
where:
Base-Base interactions energy: -155.765
where: short stacking energy: -75.254
Base-Backbone interact. energy: 1.100
local terms energy: -67.076234
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -13.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -130.265239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.265239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.265239 (E_RNA)
where:
Base-Base interactions energy: -75.503
where: short stacking energy: -49.533
Base-Backbone interact. energy: 1.916
local terms energy: -56.678374
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -127.436866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.436866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.436866 (E_RNA)
where:
Base-Base interactions energy: -75.008
where: short stacking energy: -39.062
Base-Backbone interact. energy: -0.525
local terms energy: -51.904555
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -137.255363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.255363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.255363 (E_RNA)
where:
Base-Base interactions energy: -85.299
where: short stacking energy: -22.840
Base-Backbone interact. energy: -0.348
local terms energy: -51.608294
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -7.294
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -114.107082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.107082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.107082 (E_RNA)
where:
Base-Base interactions energy: -58.703
where: short stacking energy: -45.160
Base-Backbone interact. energy: 0.669
local terms energy: -56.073267
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -220.087624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.087624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.087624 (E_RNA)
where:
Base-Base interactions energy: -130.679
where: short stacking energy: -103.098
Base-Backbone interact. energy: -0.004
local terms energy: -89.404787
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -24.197
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: 4
Temperature: 0.950000
Total energy: -204.536981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.536981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.536981 (E_RNA)
where:
Base-Base interactions energy: -124.531
where: short stacking energy: -78.667
Base-Backbone interact. energy: -0.010
local terms energy: -79.995505
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -11.947
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: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -217.333037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.333037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.333037 (E_RNA)
where:
Base-Base interactions energy: -138.053
where: short stacking energy: -84.146
Base-Backbone interact. energy: -0.009
local terms energy: -79.271188
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -20.856
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -16.686
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -171.690310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.690310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.690310 (E_RNA)
where:
Base-Base interactions energy: -107.089
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.135
local terms energy: -64.466196
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -218.486735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.486735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.486735 (E_RNA)
where:
Base-Base interactions energy: -150.049
where: short stacking energy: -72.789
Base-Backbone interact. energy: -0.118
local terms energy: -68.319926
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -9.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -197.715514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.715514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.715514 (E_RNA)
where:
Base-Base interactions energy: -124.285
where: short stacking energy: -67.601
Base-Backbone interact. energy: -0.069
local terms energy: -73.361733
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -17.163
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -142.343492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.343492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.343492 (E_RNA)
where:
Base-Base interactions energy: -79.776
where: short stacking energy: -44.360
Base-Backbone interact. energy: 0.462
local terms energy: -63.029368
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -12.247
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -167.494466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.494466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.494466 (E_RNA)
where:
Base-Base interactions energy: -113.178
where: short stacking energy: -60.314
Base-Backbone interact. energy: -0.005
local terms energy: -54.311009
where:
bonds (distance) C4'-P energy: -8.079
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -9.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -121.274275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.274275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.274275 (E_RNA)
where:
Base-Base interactions energy: -57.733
where: short stacking energy: -36.472
Base-Backbone interact. energy: -0.314
local terms energy: -63.226835
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -8.703
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: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -158.379862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.379862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.379862 (E_RNA)
where:
Base-Base interactions energy: -93.693
where: short stacking energy: -46.724
Base-Backbone interact. energy: -0.005
local terms energy: -64.682318
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -11.305
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: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -215.692168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.692168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.692168 (E_RNA)
where:
Base-Base interactions energy: -128.812
where: short stacking energy: -93.313
Base-Backbone interact. energy: -0.025
local terms energy: -86.855585
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -19.791
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: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -195.688119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.688119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.688119 (E_RNA)
where:
Base-Base interactions energy: -115.590
where: short stacking energy: -82.612
Base-Backbone interact. energy: -0.005
local terms energy: -80.092651
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -224.961493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.961493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.961493 (E_RNA)
where:
Base-Base interactions energy: -143.449
where: short stacking energy: -88.874
Base-Backbone interact. energy: -0.450
local terms energy: -81.062371
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -12.433
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: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -245.311524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.311524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.311524 (E_RNA)
where:
Base-Base interactions energy: -178.621
where: short stacking energy: -70.160
Base-Backbone interact. energy: -0.927
local terms energy: -65.763698
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -168.382558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.382558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.382558 (E_RNA)
where:
Base-Base interactions energy: -91.097
where: short stacking energy: -69.329
Base-Backbone interact. energy: 1.168
local terms energy: -78.454137
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -13.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -185.874286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.874286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.874286 (E_RNA)
where:
Base-Base interactions energy: -120.272
where: short stacking energy: -69.111
Base-Backbone interact. energy: -0.032
local terms energy: -65.570352
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -4.965
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: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -159.586805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.586805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.586805 (E_RNA)
where:
Base-Base interactions energy: -87.277
where: short stacking energy: -51.437
Base-Backbone interact. energy: -0.532
local terms energy: -71.777765
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -8.344
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: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -203.011741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.011741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.011741 (E_RNA)
where:
Base-Base interactions energy: -129.414
where: short stacking energy: -78.033
Base-Backbone interact. energy: -0.015
local terms energy: -73.582493
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -15.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -97.418281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.418281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.418281 (E_RNA)
where:
Base-Base interactions energy: -43.312
where: short stacking energy: -30.437
Base-Backbone interact. energy: -0.163
local terms energy: -53.943076
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: 0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -164.249316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.249316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.249316 (E_RNA)
where:
Base-Base interactions energy: -97.179
where: short stacking energy: -60.709
Base-Backbone interact. energy: -0.042
local terms energy: -67.028457
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -212.320822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.320822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.320822 (E_RNA)
where:
Base-Base interactions energy: -133.115
where: short stacking energy: -80.151
Base-Backbone interact. energy: -0.003
local terms energy: -79.203414
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -223.843329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.843329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.843329 (E_RNA)
where:
Base-Base interactions energy: -146.004
where: short stacking energy: -91.171
Base-Backbone interact. energy: -0.089
local terms energy: -77.750242
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -240.101371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.101371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.101371 (E_RNA)
where:
Base-Base interactions energy: -168.233
where: short stacking energy: -82.759
Base-Backbone interact. energy: 3.136
local terms energy: -75.003966
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -14.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -233.625605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.625605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.625605 (E_RNA)
where:
Base-Base interactions energy: -159.872
where: short stacking energy: -74.441
Base-Backbone interact. energy: -0.488
local terms energy: -73.265024
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -9.048
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: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -192.596817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.596817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.596817 (E_RNA)
where:
Base-Base interactions energy: -117.276
where: short stacking energy: -53.704
Base-Backbone interact. energy: -1.406
local terms energy: -73.914218
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -9.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -118.106681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.106681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.106681 (E_RNA)
where:
Base-Base interactions energy: -67.773
where: short stacking energy: -42.439
Base-Backbone interact. energy: -0.267
local terms energy: -50.066560
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -1.086
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -179.767118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.767118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.767118 (E_RNA)
where:
Base-Base interactions energy: -115.893
where: short stacking energy: -65.662
Base-Backbone interact. energy: -0.222
local terms energy: -63.651385
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -148.022186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.022186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.022186 (E_RNA)
where:
Base-Base interactions energy: -85.353
where: short stacking energy: -62.592
Base-Backbone interact. energy: -0.169
local terms energy: -62.500237
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -114.102132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.102132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.102132 (E_RNA)
where:
Base-Base interactions energy: -56.492
where: short stacking energy: -33.150
Base-Backbone interact. energy: -0.171
local terms energy: -57.438686
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -1.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -126.775926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.775926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.775926 (E_RNA)
where:
Base-Base interactions energy: -69.216
where: short stacking energy: -39.199
Base-Backbone interact. energy: -0.214
local terms energy: -57.346008
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -232.019265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.019265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.019265 (E_RNA)
where:
Base-Base interactions energy: -146.492
where: short stacking energy: -91.204
Base-Backbone interact. energy: -0.001
local terms energy: -85.526066
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -23.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -255.954915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.954915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.954915 (E_RNA)
where:
Base-Base interactions energy: -183.403
where: short stacking energy: -81.684
Base-Backbone interact. energy: -0.135
local terms energy: -72.416867
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -15.180
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: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -226.875676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.875676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.875676 (E_RNA)
where:
Base-Base interactions energy: -143.001
where: short stacking energy: -88.728
Base-Backbone interact. energy: -0.026
local terms energy: -83.848792
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -22.028
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: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -217.481011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.481011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.481011 (E_RNA)
where:
Base-Base interactions energy: -141.041
where: short stacking energy: -79.885
Base-Backbone interact. energy: -1.066
local terms energy: -75.374274
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -261.770001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.770001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.770001 (E_RNA)
where:
Base-Base interactions energy: -185.080
where: short stacking energy: -75.776
Base-Backbone interact. energy: -0.047
local terms energy: -76.643348
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -10.257
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: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -211.384617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.384617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.384617 (E_RNA)
where:
Base-Base interactions energy: -134.677
where: short stacking energy: -62.186
Base-Backbone interact. energy: -0.500
local terms energy: -76.207061
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -15.888
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: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -153.846711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.846711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.846711 (E_RNA)
where:
Base-Base interactions energy: -92.021
where: short stacking energy: -44.745
Base-Backbone interact. energy: -0.734
local terms energy: -61.092225
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -6.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -165.527941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.527941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.527941 (E_RNA)
where:
Base-Base interactions energy: -105.473
where: short stacking energy: -55.527
Base-Backbone interact. energy: -1.996
local terms energy: -58.059264
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -8.812
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: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -139.697393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.697393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.697393 (E_RNA)
where:
Base-Base interactions energy: -73.796
where: short stacking energy: -53.719
Base-Backbone interact. energy: -0.031
local terms energy: -65.869997
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -116.309473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.309473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.309473 (E_RNA)
where:
Base-Base interactions energy: -56.207
where: short stacking energy: -51.125
Base-Backbone interact. energy: -0.213
local terms energy: -59.889550
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -11.135
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: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -278.113538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.113538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.113538 (E_RNA)
where:
Base-Base interactions energy: -199.503
where: short stacking energy: -89.941
Base-Backbone interact. energy: 0.489
local terms energy: -79.098768
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -221.871732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.871732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.871732 (E_RNA)
where:
Base-Base interactions energy: -133.579
where: short stacking energy: -89.108
Base-Backbone interact. energy: -0.003
local terms energy: -88.290407
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -224.890357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.890357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.890357 (E_RNA)
where:
Base-Base interactions energy: -138.628
where: short stacking energy: -93.137
Base-Backbone interact. energy: -0.015
local terms energy: -86.246726
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -228.888391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.888391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.888391 (E_RNA)
where:
Base-Base interactions energy: -143.347
where: short stacking energy: -73.204
Base-Backbone interact. energy: -0.753
local terms energy: -84.787967
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -18.708
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -294.473364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.473364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.473364 (E_RNA)
where:
Base-Base interactions energy: -209.132
where: short stacking energy: -100.957
Base-Backbone interact. energy: -0.006
local terms energy: -85.335269
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -23.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -210.242277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.242277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.242277 (E_RNA)
where:
Base-Base interactions energy: -139.116
where: short stacking energy: -63.714
Base-Backbone interact. energy: 0.598
local terms energy: -71.725019
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -8.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -225.437418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.437418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.437418 (E_RNA)
where:
Base-Base interactions energy: -157.864
where: short stacking energy: -73.239
Base-Backbone interact. energy: -0.686
local terms energy: -66.886650
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -148.719024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.719024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.719024 (E_RNA)
where:
Base-Base interactions energy: -94.379
where: short stacking energy: -48.889
Base-Backbone interact. energy: -0.113
local terms energy: -54.227143
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -107.807612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.807612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.807612 (E_RNA)
where:
Base-Base interactions energy: -52.791
where: short stacking energy: -43.022
Base-Backbone interact. energy: -0.194
local terms energy: -54.822586
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -113.961596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.961596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.961596 (E_RNA)
where:
Base-Base interactions energy: -55.034
where: short stacking energy: -48.584
Base-Backbone interact. energy: 0.223
local terms energy: -59.150612
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -279.876674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.876674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.876674 (E_RNA)
where:
Base-Base interactions energy: -199.523
where: short stacking energy: -95.206
Base-Backbone interact. energy: -0.010
local terms energy: -80.343988
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -223.629278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.629278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.629278 (E_RNA)
where:
Base-Base interactions energy: -139.974
where: short stacking energy: -87.481
Base-Backbone interact. energy: -0.080
local terms energy: -83.575562
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -212.166404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.166404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.166404 (E_RNA)
where:
Base-Base interactions energy: -125.086
where: short stacking energy: -79.823
Base-Backbone interact. energy: -0.072
local terms energy: -87.008543
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -13.495
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: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -294.488815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.488815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.488815 (E_RNA)
where:
Base-Base interactions energy: -206.133
where: short stacking energy: -90.774
Base-Backbone interact. energy: -0.035
local terms energy: -88.320770
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -23.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -244.031118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.031118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.031118 (E_RNA)
where:
Base-Base interactions energy: -165.978
where: short stacking energy: -81.565
Base-Backbone interact. energy: 1.168
local terms energy: -79.221523
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -8.432
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: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -216.335354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.335354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.335354 (E_RNA)
where:
Base-Base interactions energy: -142.239
where: short stacking energy: -70.615
Base-Backbone interact. energy: -1.796
local terms energy: -72.300206
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -7.816
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: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -218.345972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.345972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.345972 (E_RNA)
where:
Base-Base interactions energy: -151.357
where: short stacking energy: -78.592
Base-Backbone interact. energy: 1.827
local terms energy: -68.815440
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -14.583
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: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -124.711065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.711065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.711065 (E_RNA)
where:
Base-Base interactions energy: -57.006
where: short stacking energy: -57.006
Base-Backbone interact. energy: -0.647
local terms energy: -67.057818
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -161.050543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.050543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.050543 (E_RNA)
where:
Base-Base interactions energy: -102.999
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.333
local terms energy: -57.717967
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -9.864
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: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -113.349409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.349409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.349409 (E_RNA)
where:
Base-Base interactions energy: -54.510
where: short stacking energy: -43.800
Base-Backbone interact. energy: -0.298
local terms energy: -58.541502
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.155
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: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -274.348095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.348095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.348095 (E_RNA)
where:
Base-Base interactions energy: -196.169
where: short stacking energy: -85.918
Base-Backbone interact. energy: -0.027
local terms energy: -78.151618
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -15.902
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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -232.466708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.466708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.466708 (E_RNA)
where:
Base-Base interactions energy: -153.439
where: short stacking energy: -97.072
Base-Backbone interact. energy: -0.012
local terms energy: -79.015962
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -22.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -305.149280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.149280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.149280 (E_RNA)
where:
Base-Base interactions energy: -217.714
where: short stacking energy: -98.392
Base-Backbone interact. energy: -0.102
local terms energy: -87.333244
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -220.168195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.168195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.168195 (E_RNA)
where:
Base-Base interactions energy: -141.668
where: short stacking energy: -92.424
Base-Backbone interact. energy: -0.081
local terms energy: -78.419480
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -6.627
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -22.148
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: 10
Temperature: 1.100000
Total energy: -246.179763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.179763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.179763 (E_RNA)
where:
Base-Base interactions energy: -170.151
where: short stacking energy: -82.955
Base-Backbone interact. energy: -0.163
local terms energy: -75.866197
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -11.032
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: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -243.773499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.773499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.773499 (E_RNA)
where:
Base-Base interactions energy: -164.012
where: short stacking energy: -82.963
Base-Backbone interact. energy: -0.895
local terms energy: -78.867224
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -238.765447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.765447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.765447 (E_RNA)
where:
Base-Base interactions energy: -168.189
where: short stacking energy: -82.146
Base-Backbone interact. energy: 0.496
local terms energy: -71.072326
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -142.002321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.002321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.002321 (E_RNA)
where:
Base-Base interactions energy: -75.875
where: short stacking energy: -66.238
Base-Backbone interact. energy: -0.031
local terms energy: -66.096144
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -129.442590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.442590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.442590 (E_RNA)
where:
Base-Base interactions energy: -80.736
where: short stacking energy: -44.443
Base-Backbone interact. energy: 2.558
local terms energy: -51.264654
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -163.611993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.611993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.611993 (E_RNA)
where:
Base-Base interactions energy: -105.475
where: short stacking energy: -55.834
Base-Backbone interact. energy: -0.369
local terms energy: -57.767920
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -7.202
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: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -272.096623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.096623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.096623 (E_RNA)
where:
Base-Base interactions energy: -197.054
where: short stacking energy: -88.932
Base-Backbone interact. energy: -0.006
local terms energy: -75.036506
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -16.686
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: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -309.243879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.243879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.243879 (E_RNA)
where:
Base-Base interactions energy: -217.891
where: short stacking energy: -100.974
Base-Backbone interact. energy: -0.576
local terms energy: -90.777183
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -242.471180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.471180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.471180 (E_RNA)
where:
Base-Base interactions energy: -155.192
where: short stacking energy: -94.128
Base-Backbone interact. energy: -0.000
local terms energy: -87.279005
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -23.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -230.987908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.987908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.987908 (E_RNA)
where:
Base-Base interactions energy: -155.588
where: short stacking energy: -67.686
Base-Backbone interact. energy: -0.319
local terms energy: -75.080842
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -11.649
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: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -190.623817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.623817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.623817 (E_RNA)
where:
Base-Base interactions energy: -119.159
where: short stacking energy: -66.465
Base-Backbone interact. energy: 0.737
local terms energy: -72.202429
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -13.094
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: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -258.376542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.376542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.376542 (E_RNA)
where:
Base-Base interactions energy: -181.701
where: short stacking energy: -91.238
Base-Backbone interact. energy: -0.281
local terms energy: -76.394481
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -243.597086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.597086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.597086 (E_RNA)
where:
Base-Base interactions energy: -170.966
where: short stacking energy: -80.685
Base-Backbone interact. energy: -0.098
local terms energy: -72.532527
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -122.828877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.828877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.828877 (E_RNA)
where:
Base-Base interactions energy: -63.681
where: short stacking energy: -40.227
Base-Backbone interact. energy: -0.130
local terms energy: -59.018067
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -106.569646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.569646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.569646 (E_RNA)
where:
Base-Base interactions energy: -49.522
where: short stacking energy: -47.014
Base-Backbone interact. energy: -0.005
local terms energy: -57.042850
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -4.296
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: 10, replica: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -166.802056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.802056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.802056 (E_RNA)
where:
Base-Base interactions energy: -104.688
where: short stacking energy: -62.059
Base-Backbone interact. energy: -0.496
local terms energy: -61.618437
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -10.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -319.998566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.998566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.998566 (E_RNA)
where:
Base-Base interactions energy: -225.269
where: short stacking energy: -104.979
Base-Backbone interact. energy: -0.873
local terms energy: -93.856612
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -26.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -265.557780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.557780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.557780 (E_RNA)
where:
Base-Base interactions energy: -196.120
where: short stacking energy: -76.595
Base-Backbone interact. energy: -0.097
local terms energy: -69.341513
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -7.908
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: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -242.806051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.806051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.806051 (E_RNA)
where:
Base-Base interactions energy: -159.567
where: short stacking energy: -102.397
Base-Backbone interact. energy: -0.004
local terms energy: -83.235556
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -21.140
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: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -224.333950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.333950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.333950 (E_RNA)
where:
Base-Base interactions energy: -147.984
where: short stacking energy: -75.329
Base-Backbone interact. energy: -0.054
local terms energy: -76.296359
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -255.353945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.353945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.353945 (E_RNA)
where:
Base-Base interactions energy: -176.980
where: short stacking energy: -88.605
Base-Backbone interact. energy: -0.111
local terms energy: -78.263145
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -192.562046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.562046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.562046 (E_RNA)
where:
Base-Base interactions energy: -121.537
where: short stacking energy: -64.466
Base-Backbone interact. energy: -0.586
local terms energy: -70.438732
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -16.015
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: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -236.422095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.422095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.422095 (E_RNA)
where:
Base-Base interactions energy: -162.613
where: short stacking energy: -74.931
Base-Backbone interact. energy: -0.102
local terms energy: -73.706524
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -158.275307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.275307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.275307 (E_RNA)
where:
Base-Base interactions energy: -96.754
where: short stacking energy: -61.908
Base-Backbone interact. energy: -0.480
local terms energy: -61.041033
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -155.548934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.548934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.548934 (E_RNA)
where:
Base-Base interactions energy: -97.546
where: short stacking energy: -42.661
Base-Backbone interact. energy: -0.136
local terms energy: -57.866995
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -110.049359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.049359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.049359 (E_RNA)
where:
Base-Base interactions energy: -44.705
where: short stacking energy: -44.705
Base-Backbone interact. energy: 2.544
local terms energy: -67.888596
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -8.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -309.488153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.488153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.488153 (E_RNA)
where:
Base-Base interactions energy: -224.632
where: short stacking energy: -107.282
Base-Backbone interact. energy: -0.167
local terms energy: -84.689274
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -24.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -270.231576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.231576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.231576 (E_RNA)
where:
Base-Base interactions energy: -197.826
where: short stacking energy: -79.697
Base-Backbone interact. energy: -0.019
local terms energy: -72.386676
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -17.188
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: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -236.325509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.325509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.325509 (E_RNA)
where:
Base-Base interactions energy: -155.506
where: short stacking energy: -81.410
Base-Backbone interact. energy: -0.202
local terms energy: -80.618082
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -12.906
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: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -255.652323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.652323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.652323 (E_RNA)
where:
Base-Base interactions energy: -175.501
where: short stacking energy: -85.407
Base-Backbone interact. energy: -0.169
local terms energy: -79.982601
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -12.335
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: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -225.990967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.990967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.990967 (E_RNA)
where:
Base-Base interactions energy: -151.459
where: short stacking energy: -70.475
Base-Backbone interact. energy: -0.077
local terms energy: -74.454978
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -20.549
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: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -252.885342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.885342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.885342 (E_RNA)
where:
Base-Base interactions energy: -169.421
where: short stacking energy: -91.467
Base-Backbone interact. energy: -0.009
local terms energy: -83.455027
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -206.077977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.077977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.077977 (E_RNA)
where:
Base-Base interactions energy: -138.632
where: short stacking energy: -57.182
Base-Backbone interact. energy: -0.416
local terms energy: -67.029452
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -8.218
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: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -198.445663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.445663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.445663 (E_RNA)
where:
Base-Base interactions energy: -133.362
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.157
local terms energy: -64.926941
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -10.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -196.284848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.284848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.284848 (E_RNA)
where:
Base-Base interactions energy: -127.299
where: short stacking energy: -63.525
Base-Backbone interact. energy: 0.913
local terms energy: -69.898604
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -107.369632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.369632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.369632 (E_RNA)
where:
Base-Base interactions energy: -52.188
where: short stacking energy: -50.797
Base-Backbone interact. energy: -0.043
local terms energy: -55.138553
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: 0.558
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: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -271.549792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.549792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.549792 (E_RNA)
where:
Base-Base interactions energy: -194.284
where: short stacking energy: -85.336
Base-Backbone interact. energy: 1.163
local terms energy: -78.428902
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -16.451
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: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -309.423304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.423304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.423304 (E_RNA)
where:
Base-Base interactions energy: -224.723
where: short stacking energy: -102.625
Base-Backbone interact. energy: -0.002
local terms energy: -84.698315
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -23.465
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: 14
Temperature: 1.000000
Total energy: -277.467089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.467089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.467089 (E_RNA)
where:
Base-Base interactions energy: -192.458
where: short stacking energy: -97.316
Base-Backbone interact. energy: -0.084
local terms energy: -84.924954
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -236.209706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.209706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.209706 (E_RNA)
where:
Base-Base interactions energy: -158.851
where: short stacking energy: -81.319
Base-Backbone interact. energy: -0.147
local terms energy: -77.211720
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -262.996931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.996931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.996931 (E_RNA)
where:
Base-Base interactions energy: -176.951
where: short stacking energy: -95.912
Base-Backbone interact. energy: -1.673
local terms energy: -84.373509
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -22.248
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: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -243.996350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.996350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.996350 (E_RNA)
where:
Base-Base interactions energy: -168.336
where: short stacking energy: -82.632
Base-Backbone interact. energy: -0.620
local terms energy: -75.040687
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -207.642634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.642634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.642634 (E_RNA)
where:
Base-Base interactions energy: -143.880
where: short stacking energy: -69.937
Base-Backbone interact. energy: -0.264
local terms energy: -63.498652
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -15.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -188.811037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.811037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.811037 (E_RNA)
where:
Base-Base interactions energy: -124.899
where: short stacking energy: -58.784
Base-Backbone interact. energy: -1.047
local terms energy: -62.864334
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -8.923
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: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -182.668621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.668621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.668621 (E_RNA)
where:
Base-Base interactions energy: -130.026
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.249
local terms energy: -52.393668
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -106.375708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.375708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.375708 (E_RNA)
where:
Base-Base interactions energy: -51.729
where: short stacking energy: -42.287
Base-Backbone interact. energy: -0.085
local terms energy: -54.561627
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.233
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: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -272.399699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.399699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.399699 (E_RNA)
where:
Base-Base interactions energy: -194.999
where: short stacking energy: -83.967
Base-Backbone interact. energy: -0.389
local terms energy: -77.010816
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -20.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -277.682288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.682288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.682288 (E_RNA)
where:
Base-Base interactions energy: -195.209
where: short stacking energy: -90.020
Base-Backbone interact. energy: 0.011
local terms energy: -82.484480
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -312.685765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.685765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.685765 (E_RNA)
where:
Base-Base interactions energy: -222.463
where: short stacking energy: -92.304
Base-Backbone interact. energy: -0.306
local terms energy: -89.917265
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -22.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -256.655906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.655906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.655906 (E_RNA)
where:
Base-Base interactions energy: -173.492
where: short stacking energy: -98.243
Base-Backbone interact. energy: -0.003
local terms energy: -83.160958
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -24.435
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: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -222.926328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.926328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.926328 (E_RNA)
where:
Base-Base interactions energy: -149.515
where: short stacking energy: -60.505
Base-Backbone interact. energy: -0.071
local terms energy: -73.339885
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -4.793
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: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -230.833546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.833546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.833546 (E_RNA)
where:
Base-Base interactions energy: -155.855
where: short stacking energy: -72.766
Base-Backbone interact. energy: -1.139
local terms energy: -73.840326
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -12.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -207.990995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.990995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.990995 (E_RNA)
where:
Base-Base interactions energy: -140.027
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.312
local terms energy: -67.652626
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -5.931
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: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -195.446658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.446658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.446658 (E_RNA)
where:
Base-Base interactions energy: -129.226
where: short stacking energy: -66.635
Base-Backbone interact. energy: -0.106
local terms energy: -66.114966
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -168.654812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.654812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.654812 (E_RNA)
where:
Base-Base interactions energy: -103.104
where: short stacking energy: -48.003
Base-Backbone interact. energy: -0.951
local terms energy: -64.599773
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -9.872
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: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -109.042443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.042443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.042443 (E_RNA)
where:
Base-Base interactions energy: -51.576
where: short stacking energy: -40.917
Base-Backbone interact. energy: 0.978
local terms energy: -58.444995
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -5.702
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: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -276.840059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.840059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.840059 (E_RNA)
where:
Base-Base interactions energy: -197.098
where: short stacking energy: -89.057
Base-Backbone interact. energy: -0.128
local terms energy: -79.614412
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -258.613993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.613993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.613993 (E_RNA)
where:
Base-Base interactions energy: -169.829
where: short stacking energy: -78.984
Base-Backbone interact. energy: 1.463
local terms energy: -90.247508
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -15.152
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: 16
Temperature: 1.000000
Total energy: -305.169054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.169054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.169054 (E_RNA)
where:
Base-Base interactions energy: -220.605
where: short stacking energy: -105.186
Base-Backbone interact. energy: -0.070
local terms energy: -84.493627
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -270.707262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.707262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.707262 (E_RNA)
where:
Base-Base interactions energy: -189.922
where: short stacking energy: -88.609
Base-Backbone interact. energy: -0.149
local terms energy: -80.636897
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -24.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -242.571815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.571815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.571815 (E_RNA)
where:
Base-Base interactions energy: -169.561
where: short stacking energy: -89.783
Base-Backbone interact. energy: -0.118
local terms energy: -72.892785
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -221.267497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.267497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.267497 (E_RNA)
where:
Base-Base interactions energy: -148.289
where: short stacking energy: -63.792
Base-Backbone interact. energy: -0.053
local terms energy: -72.925684
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -14.723
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: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -206.091671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.091671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.091671 (E_RNA)
where:
Base-Base interactions energy: -141.456
where: short stacking energy: -75.414
Base-Backbone interact. energy: 1.660
local terms energy: -66.295532
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -11.982
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: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -199.706144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.706144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.706144 (E_RNA)
where:
Base-Base interactions energy: -125.584
where: short stacking energy: -59.734
Base-Backbone interact. energy: -0.350
local terms energy: -73.771604
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -8.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -165.340906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.340906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.340906 (E_RNA)
where:
Base-Base interactions energy: -101.877
where: short stacking energy: -53.874
Base-Backbone interact. energy: -0.100
local terms energy: -63.364649
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -108.878857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.878857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.878857 (E_RNA)
where:
Base-Base interactions energy: -58.365
where: short stacking energy: -44.021
Base-Backbone interact. energy: -0.304
local terms energy: -50.210005
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -4.804
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: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -277.615498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.615498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.615498 (E_RNA)
where:
Base-Base interactions energy: -197.678
where: short stacking energy: -78.657
Base-Backbone interact. energy: -0.280
local terms energy: -79.657419
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -11.901
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: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -312.976682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.976682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.976682 (E_RNA)
where:
Base-Base interactions energy: -230.538
where: short stacking energy: -96.907
Base-Backbone interact. energy: -0.033
local terms energy: -82.405923
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -254.402164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.402164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.402164 (E_RNA)
where:
Base-Base interactions energy: -180.164
where: short stacking energy: -80.565
Base-Backbone interact. energy: -1.574
local terms energy: -72.664221
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -285.902099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.902099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.902099 (E_RNA)
where:
Base-Base interactions energy: -196.898
where: short stacking energy: -93.366
Base-Backbone interact. energy: -0.049
local terms energy: -88.954643
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -240.463058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.463058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.463058 (E_RNA)
where:
Base-Base interactions energy: -161.565
where: short stacking energy: -74.491
Base-Backbone interact. energy: -0.486
local terms energy: -78.411518
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -215.947469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.947469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.947469 (E_RNA)
where:
Base-Base interactions energy: -149.047
where: short stacking energy: -72.910
Base-Backbone interact. energy: -0.058
local terms energy: -66.842064
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -13.289
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: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -209.137259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.137259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.137259 (E_RNA)
where:
Base-Base interactions energy: -138.127
where: short stacking energy: -68.336
Base-Backbone interact. energy: -0.079
local terms energy: -70.931260
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -161.525556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.525556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.525556 (E_RNA)
where:
Base-Base interactions energy: -100.473
where: short stacking energy: -53.560
Base-Backbone interact. energy: -0.162
local terms energy: -60.890427
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -9.467
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: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -190.070257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.070257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.070257 (E_RNA)
where:
Base-Base interactions energy: -126.317
where: short stacking energy: -63.486
Base-Backbone interact. energy: -0.931
local terms energy: -62.822521
where:
bonds (distance) C4'-P energy: -7.548
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -111.067862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.067862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.067862 (E_RNA)
where:
Base-Base interactions energy: -58.883
where: short stacking energy: -55.178
Base-Backbone interact. energy: 0.351
local terms energy: -52.536283
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -5.136
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: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -318.028896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.028896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.028896 (E_RNA)
where:
Base-Base interactions energy: -237.784
where: short stacking energy: -106.340
Base-Backbone interact. energy: -0.006
local terms energy: -80.239176
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -0.988
tors. eta vs tors. theta energy: -26.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -277.484644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.484644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.484644 (E_RNA)
where:
Base-Base interactions energy: -184.111
where: short stacking energy: -92.834
Base-Backbone interact. energy: -0.124
local terms energy: -93.250142
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -19.830
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: 3, replica: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -269.358680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.358680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.358680 (E_RNA)
where:
Base-Base interactions energy: -179.335
where: short stacking energy: -92.976
Base-Backbone interact. energy: -1.186
local terms energy: -88.837700
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -249.922120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.922120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.922120 (E_RNA)
where:
Base-Base interactions energy: -172.100
where: short stacking energy: -80.534
Base-Backbone interact. energy: 0.177
local terms energy: -77.999444
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -222.798155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.798155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.798155 (E_RNA)
where:
Base-Base interactions energy: -152.537
where: short stacking energy: -79.271
Base-Backbone interact. energy: -0.177
local terms energy: -70.085041
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -14.866
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: 18
Temperature: 1.150000
Total energy: -243.762271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.762271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.762271 (E_RNA)
where:
Base-Base interactions energy: -174.827
where: short stacking energy: -81.775
Base-Backbone interact. energy: 1.046
local terms energy: -69.982034
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -17.508
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: 7, replica: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -184.703809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.703809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.703809 (E_RNA)
where:
Base-Base interactions energy: -109.824
where: short stacking energy: -73.456
Base-Backbone interact. energy: -0.182
local terms energy: -74.698326
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -171.548518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.548518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.548518 (E_RNA)
where:
Base-Base interactions energy: -103.151
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.189
local terms energy: -68.208834
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -12.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -206.183013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.183013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.183013 (E_RNA)
where:
Base-Base interactions energy: -134.575
where: short stacking energy: -60.443
Base-Backbone interact. energy: -0.103
local terms energy: -71.505357
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -102.114421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.114421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.114421 (E_RNA)
where:
Base-Base interactions energy: -44.440
where: short stacking energy: -43.681
Base-Backbone interact. energy: -0.464
local terms energy: -57.210419
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -10.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -315.156084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.156084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.156084 (E_RNA)
where:
Base-Base interactions energy: -230.289
where: short stacking energy: -105.599
Base-Backbone interact. energy: -0.093
local terms energy: -84.773648
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -24.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -272.088371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.088371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.088371 (E_RNA)
where:
Base-Base interactions energy: -193.470
where: short stacking energy: -89.291
Base-Backbone interact. energy: -0.055
local terms energy: -78.563064
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -17.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -250.676307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.676307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.676307 (E_RNA)
where:
Base-Base interactions energy: -172.798
where: short stacking energy: -85.456
Base-Backbone interact. energy: -0.007
local terms energy: -77.871305
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -12.862
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: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -249.659590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.659590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.659590 (E_RNA)
where:
Base-Base interactions energy: -167.314
where: short stacking energy: -77.373
Base-Backbone interact. energy: -0.187
local terms energy: -82.157937
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -218.491441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.491441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.491441 (E_RNA)
where:
Base-Base interactions energy: -147.851
where: short stacking energy: -81.340
Base-Backbone interact. energy: -0.038
local terms energy: -70.602664
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -203.223585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.223585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.223585 (E_RNA)
where:
Base-Base interactions energy: -126.868
where: short stacking energy: -64.637
Base-Backbone interact. energy: -0.178
local terms energy: -76.177186
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -239.462964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.462964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.462964 (E_RNA)
where:
Base-Base interactions energy: -169.640
where: short stacking energy: -86.875
Base-Backbone interact. energy: 0.093
local terms energy: -69.915648
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -18.901
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: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -212.692707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.692707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.692707 (E_RNA)
where:
Base-Base interactions energy: -150.894
where: short stacking energy: -62.403
Base-Backbone interact. energy: -0.385
local terms energy: -61.413706
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -13.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -158.971603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.971603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.971603 (E_RNA)
where:
Base-Base interactions energy: -90.435
where: short stacking energy: -39.568
Base-Backbone interact. energy: -0.415
local terms energy: -68.121773
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -100.877472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.877472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.877472 (E_RNA)
where:
Base-Base interactions energy: -53.162
where: short stacking energy: -53.162
Base-Backbone interact. energy: 1.121
local terms energy: -48.836767
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -321.900718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.900718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.900718 (E_RNA)
where:
Base-Base interactions energy: -230.805
where: short stacking energy: -98.305
Base-Backbone interact. energy: -0.011
local terms energy: -91.084613
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -22.773
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: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -273.923817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.923817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.923817 (E_RNA)
where:
Base-Base interactions energy: -179.270
where: short stacking energy: -101.932
Base-Backbone interact. energy: 1.206
local terms energy: -95.859994
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -27.522
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: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -252.811874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.811874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.811874 (E_RNA)
where:
Base-Base interactions energy: -174.341
where: short stacking energy: -82.240
Base-Backbone interact. energy: -1.200
local terms energy: -77.271258
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -249.361083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.361083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.361083 (E_RNA)
where:
Base-Base interactions energy: -184.813
where: short stacking energy: -81.970
Base-Backbone interact. energy: 0.004
local terms energy: -64.552105
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -11.591
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: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -204.296360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.296360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.296360 (E_RNA)
where:
Base-Base interactions energy: -137.372
where: short stacking energy: -72.541
Base-Backbone interact. energy: -0.147
local terms energy: -66.777110
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -211.271993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.271993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.271993 (E_RNA)
where:
Base-Base interactions energy: -145.793
where: short stacking energy: -63.215
Base-Backbone interact. energy: 0.387
local terms energy: -65.866011
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -247.641714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.641714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.641714 (E_RNA)
where:
Base-Base interactions energy: -176.725
where: short stacking energy: -62.439
Base-Backbone interact. energy: 0.039
local terms energy: -70.955415
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -13.340
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: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -208.750302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.750302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.750302 (E_RNA)
where:
Base-Base interactions energy: -146.561
where: short stacking energy: -65.929
Base-Backbone interact. energy: 0.718
local terms energy: -62.906924
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -12.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -171.307771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.307771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.307771 (E_RNA)
where:
Base-Base interactions energy: -114.767
where: short stacking energy: -58.626
Base-Backbone interact. energy: -0.216
local terms energy: -56.324371
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -107.914329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.914329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.914329 (E_RNA)
where:
Base-Base interactions energy: -55.959
where: short stacking energy: -28.097
Base-Backbone interact. energy: -0.414
local terms energy: -51.540713
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -318.340642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.340642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.340642 (E_RNA)
where:
Base-Base interactions energy: -234.339
where: short stacking energy: -108.808
Base-Backbone interact. energy: -0.105
local terms energy: -83.895947
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -24.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -266.507796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.507796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.507796 (E_RNA)
where:
Base-Base interactions energy: -187.698
where: short stacking energy: -89.861
Base-Backbone interact. energy: -1.738
local terms energy: -77.072021
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -9.245
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: 8
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -269.630721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.630721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.630721 (E_RNA)
where:
Base-Base interactions energy: -190.141
where: short stacking energy: -95.715
Base-Backbone interact. energy: -0.595
local terms energy: -78.894247
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -257.466935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.466935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.466935 (E_RNA)
where:
Base-Base interactions energy: -174.404
where: short stacking energy: -93.044
Base-Backbone interact. energy: -0.171
local terms energy: -82.891577
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -14.360
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: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -183.791825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.791825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.791825 (E_RNA)
where:
Base-Base interactions energy: -120.248
where: short stacking energy: -64.657
Base-Backbone interact. energy: -0.072
local terms energy: -63.471939
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -6.471
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: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -212.732881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.732881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.732881 (E_RNA)
where:
Base-Base interactions energy: -145.658
where: short stacking energy: -70.365
Base-Backbone interact. energy: -0.283
local terms energy: -66.791667
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -12.043
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: 21
Temperature: 1.200000
Total energy: -224.151268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.151268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.151268 (E_RNA)
where:
Base-Base interactions energy: -151.521
where: short stacking energy: -82.805
Base-Backbone interact. energy: -0.546
local terms energy: -72.084373
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -10.162
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: 8, replica: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -238.667174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.667174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.667174 (E_RNA)
where:
Base-Base interactions energy: -178.731
where: short stacking energy: -90.953
Base-Backbone interact. energy: 2.894
local terms energy: -62.829467
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -190.902360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.902360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.902360 (E_RNA)
where:
Base-Base interactions energy: -124.388
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.093
local terms energy: -66.420828
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -164.358571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.358571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.358571 (E_RNA)
where:
Base-Base interactions energy: -103.540
where: short stacking energy: -35.001
Base-Backbone interact. energy: -0.359
local terms energy: -60.459692
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -321.849280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.849280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.849280 (E_RNA)
where:
Base-Base interactions energy: -231.421
where: short stacking energy: -99.963
Base-Backbone interact. energy: -0.076
local terms energy: -90.352332
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -23.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -265.046130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.046130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.046130 (E_RNA)
where:
Base-Base interactions energy: -188.703
where: short stacking energy: -83.539
Base-Backbone interact. energy: 0.137
local terms energy: -76.480106
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -15.702
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: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -261.940069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.940069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.940069 (E_RNA)
where:
Base-Base interactions energy: -185.202
where: short stacking energy: -87.177
Base-Backbone interact. energy: -0.307
local terms energy: -76.430922
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -18.893
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: 8
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -251.784588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.784588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.784588 (E_RNA)
where:
Base-Base interactions energy: -173.839
where: short stacking energy: -73.004
Base-Backbone interact. energy: 0.471
local terms energy: -78.416486
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -19.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -225.105278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.105278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.105278 (E_RNA)
where:
Base-Base interactions energy: -153.705
where: short stacking energy: -87.162
Base-Backbone interact. energy: -0.031
local terms energy: -71.368951
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -14.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -185.508377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.508377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.508377 (E_RNA)
where:
Base-Base interactions energy: -119.302
where: short stacking energy: -63.326
Base-Backbone interact. energy: -0.143
local terms energy: -66.062894
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -229.301067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.301067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.301067 (E_RNA)
where:
Base-Base interactions energy: -153.661
where: short stacking energy: -68.927
Base-Backbone interact. energy: -0.182
local terms energy: -75.457939
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -213.245172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.245172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.245172 (E_RNA)
where:
Base-Base interactions energy: -142.569
where: short stacking energy: -72.264
Base-Backbone interact. energy: -0.297
local terms energy: -70.379195
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -154.567060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.567060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.567060 (E_RNA)
where:
Base-Base interactions energy: -94.606
where: short stacking energy: -47.128
Base-Backbone interact. energy: 1.558
local terms energy: -61.518463
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -216.727898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.727898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.727898 (E_RNA)
where:
Base-Base interactions energy: -152.737
where: short stacking energy: -57.031
Base-Backbone interact. energy: -0.493
local terms energy: -63.498188
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -12.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -316.614080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.614080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.614080 (E_RNA)
where:
Base-Base interactions energy: -230.306
where: short stacking energy: -93.970
Base-Backbone interact. energy: -0.008
local terms energy: -86.299804
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -24.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -278.975636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.975636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.975636 (E_RNA)
where:
Base-Base interactions energy: -192.450
where: short stacking energy: -98.411
Base-Backbone interact. energy: -0.453
local terms energy: -86.073394
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -12.136
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: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -247.685978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.685978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.685978 (E_RNA)
where:
Base-Base interactions energy: -169.323
where: short stacking energy: -82.985
Base-Backbone interact. energy: 0.313
local terms energy: -78.676586
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -16.347
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: 4, replica: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -254.908281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.908281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.908281 (E_RNA)
where:
Base-Base interactions energy: -164.945
where: short stacking energy: -81.642
Base-Backbone interact. energy: 1.478
local terms energy: -91.441241
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -215.091669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.091669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.091669 (E_RNA)
where:
Base-Base interactions energy: -145.847
where: short stacking energy: -63.023
Base-Backbone interact. energy: -0.469
local terms energy: -68.775972
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -9.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -244.458335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.458335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.458335 (E_RNA)
where:
Base-Base interactions energy: -175.135
where: short stacking energy: -81.498
Base-Backbone interact. energy: -0.053
local terms energy: -69.270765
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -10.324
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: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -178.527360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.527360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.527360 (E_RNA)
where:
Base-Base interactions energy: -123.674
where: short stacking energy: -44.800
Base-Backbone interact. energy: -0.512
local terms energy: -54.340568
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -8.692
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: 23
Temperature: 1.250000
Total energy: -221.924046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.924046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.924046 (E_RNA)
where:
Base-Base interactions energy: -149.676
where: short stacking energy: -79.118
Base-Backbone interact. energy: -0.009
local terms energy: -72.239047
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -7.486
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: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -167.744627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.744627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.744627 (E_RNA)
where:
Base-Base interactions energy: -105.581
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.103
local terms energy: -62.060505
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -9.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -218.942296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.942296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.942296 (E_RNA)
where:
Base-Base interactions energy: -150.637
where: short stacking energy: -68.197
Base-Backbone interact. energy: 0.415
local terms energy: -68.719673
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -11.645
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: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -323.295009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.295009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.295009 (E_RNA)
where:
Base-Base interactions energy: -227.357
where: short stacking energy: -106.147
Base-Backbone interact. energy: -0.257
local terms energy: -95.680615
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -267.377166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.377166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.377166 (E_RNA)
where:
Base-Base interactions energy: -180.096
where: short stacking energy: -84.273
Base-Backbone interact. energy: -0.278
local terms energy: -87.003323
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -259.534249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.534249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.534249 (E_RNA)
where:
Base-Base interactions energy: -177.846
where: short stacking energy: -91.259
Base-Backbone interact. energy: -0.002
local terms energy: -81.685967
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -261.138585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.138585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.138585 (E_RNA)
where:
Base-Base interactions energy: -176.831
where: short stacking energy: -81.149
Base-Backbone interact. energy: -1.235
local terms energy: -83.072602
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -254.592426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.592426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.592426 (E_RNA)
where:
Base-Base interactions energy: -171.640
where: short stacking energy: -88.068
Base-Backbone interact. energy: 1.190
local terms energy: -84.142148
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -212.979534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.979534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.979534 (E_RNA)
where:
Base-Base interactions energy: -142.457
where: short stacking energy: -68.315
Base-Backbone interact. energy: 2.082
local terms energy: -72.604372
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -11.231
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: 7, replica: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -185.275061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.275061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.275061 (E_RNA)
where:
Base-Base interactions energy: -118.757
where: short stacking energy: -58.500
Base-Backbone interact. energy: -0.917
local terms energy: -65.600620
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -206.955806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.955806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.955806 (E_RNA)
where:
Base-Base interactions energy: -136.982
where: short stacking energy: -66.854
Base-Backbone interact. energy: -0.308
local terms energy: -69.665777
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -13.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -217.212278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.212278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.212278 (E_RNA)
where:
Base-Base interactions energy: -153.559
where: short stacking energy: -59.856
Base-Backbone interact. energy: -0.729
local terms energy: -62.924711
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -6.499
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: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -153.207541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.207541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.207541 (E_RNA)
where:
Base-Base interactions energy: -90.986
where: short stacking energy: -42.039
Base-Backbone interact. energy: -0.598
local terms energy: -61.623001
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -9.572
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: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -317.240358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.240358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.240358 (E_RNA)
where:
Base-Base interactions energy: -238.091
where: short stacking energy: -103.161
Base-Backbone interact. energy: 0.372
local terms energy: -79.520862
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -23.347
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: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -273.048898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.048898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.048898 (E_RNA)
where:
Base-Base interactions energy: -188.237
where: short stacking energy: -88.905
Base-Backbone interact. energy: -0.082
local terms energy: -84.730140
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -263.387900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.387900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.387900 (E_RNA)
where:
Base-Base interactions energy: -174.249
where: short stacking energy: -89.090
Base-Backbone interact. energy: -1.582
local terms energy: -87.556882
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -22.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -259.279309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.279309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.279309 (E_RNA)
where:
Base-Base interactions energy: -178.813
where: short stacking energy: -87.571
Base-Backbone interact. energy: -0.947
local terms energy: -79.518963
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -241.983939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.983939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.983939 (E_RNA)
where:
Base-Base interactions energy: -174.473
where: short stacking energy: -84.031
Base-Backbone interact. energy: -0.629
local terms energy: -66.881913
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -241.118876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.118876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.118876 (E_RNA)
where:
Base-Base interactions energy: -172.509
where: short stacking energy: -79.620
Base-Backbone interact. energy: 2.574
local terms energy: -71.183705
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -191.817846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.817846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.817846 (E_RNA)
where:
Base-Base interactions energy: -122.043
where: short stacking energy: -73.577
Base-Backbone interact. energy: -0.108
local terms energy: -69.667287
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -16.780
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: 25
Temperature: 1.250000
Total energy: -242.127851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.127851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.127851 (E_RNA)
where:
Base-Base interactions energy: -172.914
where: short stacking energy: -69.648
Base-Backbone interact. energy: 0.337
local terms energy: -69.550164
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -8.945
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -226.544685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.544685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.544685 (E_RNA)
where:
Base-Base interactions energy: -151.968
where: short stacking energy: -72.794
Base-Backbone interact. energy: -0.050
local terms energy: -74.525801
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -160.883823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.883823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.883823 (E_RNA)
where:
Base-Base interactions energy: -104.633
where: short stacking energy: -60.701
Base-Backbone interact. energy: -0.969
local terms energy: -55.280954
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -9.011
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -317.183736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.183736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.183736 (E_RNA)
where:
Base-Base interactions energy: -226.913
where: short stacking energy: -94.979
Base-Backbone interact. energy: -0.008
local terms energy: -90.262940
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -25.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -275.698376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.698376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.698376 (E_RNA)
where:
Base-Base interactions energy: -196.542
where: short stacking energy: -99.775
Base-Backbone interact. energy: -0.285
local terms energy: -78.871581
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -22.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -260.321795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.321795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.321795 (E_RNA)
where:
Base-Base interactions energy: -185.733
where: short stacking energy: -88.647
Base-Backbone interact. energy: 1.115
local terms energy: -75.704235
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -11.915
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: 4, replica: 8
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -251.757334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.757334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.757334 (E_RNA)
where:
Base-Base interactions energy: -168.771
where: short stacking energy: -83.384
Base-Backbone interact. energy: -1.277
local terms energy: -81.709463
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -239.551315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.551315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.551315 (E_RNA)
where:
Base-Base interactions energy: -170.042
where: short stacking energy: -74.490
Base-Backbone interact. energy: -0.547
local terms energy: -68.962588
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -6.523
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: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -238.089087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.089087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.089087 (E_RNA)
where:
Base-Base interactions energy: -161.103
where: short stacking energy: -77.299
Base-Backbone interact. energy: -0.313
local terms energy: -76.673752
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -18.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -239.661489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.661489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.661489 (E_RNA)
where:
Base-Base interactions energy: -171.086
where: short stacking energy: -66.213
Base-Backbone interact. energy: -0.028
local terms energy: -68.546712
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -13.989
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: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -172.122878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.122878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.122878 (E_RNA)
where:
Base-Base interactions energy: -104.988
where: short stacking energy: -63.035
Base-Backbone interact. energy: -0.110
local terms energy: -67.024435
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -195.544827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.544827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.544827 (E_RNA)
where:
Base-Base interactions energy: -125.275
where: short stacking energy: -61.572
Base-Backbone interact. energy: -0.156
local terms energy: -70.114498
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -11.745
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: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -220.134541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.134541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.134541 (E_RNA)
where:
Base-Base interactions energy: -159.877
where: short stacking energy: -66.717
Base-Backbone interact. energy: -0.140
local terms energy: -60.117212
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -13.350
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: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -316.634383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.634383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.634383 (E_RNA)
where:
Base-Base interactions energy: -232.179
where: short stacking energy: -99.696
Base-Backbone interact. energy: -0.000
local terms energy: -84.455465
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -23.169
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: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -273.484955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.484955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.484955 (E_RNA)
where:
Base-Base interactions energy: -187.657
where: short stacking energy: -99.078
Base-Backbone interact. energy: -0.302
local terms energy: -85.525999
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -13.447
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: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -261.328310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.328310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.328310 (E_RNA)
where:
Base-Base interactions energy: -185.963
where: short stacking energy: -92.606
Base-Backbone interact. energy: -0.105
local terms energy: -75.260570
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -259.949498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.949498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.949498 (E_RNA)
where:
Base-Base interactions energy: -180.372
where: short stacking energy: -99.013
Base-Backbone interact. energy: -1.420
local terms energy: -78.157410
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -25.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -245.827250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.827250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.827250 (E_RNA)
where:
Base-Base interactions energy: -176.394
where: short stacking energy: -82.765
Base-Backbone interact. energy: -0.354
local terms energy: -69.079618
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -4.736
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: 6, replica: 2
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -236.847895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.847895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.847895 (E_RNA)
where:
Base-Base interactions energy: -180.207
where: short stacking energy: -80.187
Base-Backbone interact. energy: 0.137
local terms energy: -56.777058
where:
bonds (distance) C4'-P energy: -3.320
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -17.022
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: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -226.270691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.270691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.270691 (E_RNA)
where:
Base-Base interactions energy: -155.033
where: short stacking energy: -68.702
Base-Backbone interact. energy: -0.085
local terms energy: -71.152677
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -226.668419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.668419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.668419 (E_RNA)
where:
Base-Base interactions energy: -160.466
where: short stacking energy: -62.702
Base-Backbone interact. energy: -0.610
local terms energy: -65.591800
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -14.329
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: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -170.122714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.122714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.122714 (E_RNA)
where:
Base-Base interactions energy: -106.808
where: short stacking energy: -55.596
Base-Backbone interact. energy: 0.529
local terms energy: -63.844074
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -204.579036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.579036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.579036 (E_RNA)
where:
Base-Base interactions energy: -129.763
where: short stacking energy: -60.055
Base-Backbone interact. energy: -0.027
local terms energy: -74.788151
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -321.535475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.535475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.535475 (E_RNA)
where:
Base-Base interactions energy: -225.619
where: short stacking energy: -100.035
Base-Backbone interact. energy: 0.173
local terms energy: -96.090204
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -30.067
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: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -278.494159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.494159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.494159 (E_RNA)
where:
Base-Base interactions energy: -189.548
where: short stacking energy: -95.841
Base-Backbone interact. energy: -0.267
local terms energy: -88.679226
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -23.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -273.510733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.510733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.510733 (E_RNA)
where:
Base-Base interactions energy: -184.355
where: short stacking energy: -99.698
Base-Backbone interact. energy: -0.313
local terms energy: -88.842301
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -23.615
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: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -250.321013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.321013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.321013 (E_RNA)
where:
Base-Base interactions energy: -167.876
where: short stacking energy: -81.835
Base-Backbone interact. energy: -0.187
local terms energy: -82.257697
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -18.095
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: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -243.090237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.090237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.090237 (E_RNA)
where:
Base-Base interactions energy: -168.748
where: short stacking energy: -68.743
Base-Backbone interact. energy: -0.111
local terms energy: -74.231128
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -231.480065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.480065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.480065 (E_RNA)
where:
Base-Base interactions energy: -166.106
where: short stacking energy: -76.976
Base-Backbone interact. energy: -0.061
local terms energy: -65.312539
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -249.650052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.650052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.650052 (E_RNA)
where:
Base-Base interactions energy: -167.736
where: short stacking energy: -69.890
Base-Backbone interact. energy: -0.068
local terms energy: -81.846505
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -207.037009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.037009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.037009 (E_RNA)
where:
Base-Base interactions energy: -130.771
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.234
local terms energy: -76.032128
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -208.710170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.710170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.710170 (E_RNA)
where:
Base-Base interactions energy: -149.846
where: short stacking energy: -61.106
Base-Backbone interact. energy: -0.007
local terms energy: -58.857458
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -7.981
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -168.457786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.457786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.457786 (E_RNA)
where:
Base-Base interactions energy: -99.046
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.071
local terms energy: -69.340045
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -11.472
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: 29
Temperature: 0.900000
Total energy: -319.269900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.269900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.269900 (E_RNA)
where:
Base-Base interactions energy: -234.298
where: short stacking energy: -101.674
Base-Backbone interact. energy: -0.001
local terms energy: -84.970513
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -28.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -274.875479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.875479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.875479 (E_RNA)
where:
Base-Base interactions energy: -191.097
where: short stacking energy: -100.248
Base-Backbone interact. energy: -0.856
local terms energy: -82.921650
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -19.768
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: 29
Temperature: 1.000000
Total energy: -274.350662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.350662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.350662 (E_RNA)
where:
Base-Base interactions energy: -188.608
where: short stacking energy: -96.226
Base-Backbone interact. energy: -0.056
local terms energy: -85.686455
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -9.991
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: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -253.023422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.023422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.023422 (E_RNA)
where:
Base-Base interactions energy: -174.976
where: short stacking energy: -78.309
Base-Backbone interact. energy: -0.014
local terms energy: -78.034197
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -236.490731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.490731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.490731 (E_RNA)
where:
Base-Base interactions energy: -158.051
where: short stacking energy: -73.211
Base-Backbone interact. energy: -0.155
local terms energy: -78.285131
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -267.379032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.379032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.379032 (E_RNA)
where:
Base-Base interactions energy: -189.834
where: short stacking energy: -90.958
Base-Backbone interact. energy: -0.088
local terms energy: -77.457132
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -235.609437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.609437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.609437 (E_RNA)
where:
Base-Base interactions energy: -166.122
where: short stacking energy: -73.208
Base-Backbone interact. energy: -0.339
local terms energy: -69.148344
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -215.283483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.283483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.283483 (E_RNA)
where:
Base-Base interactions energy: -149.822
where: short stacking energy: -72.511
Base-Backbone interact. energy: -0.373
local terms energy: -65.088184
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: 2.542
tors. eta vs tors. theta energy: -20.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -206.900140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.900140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.900140 (E_RNA)
where:
Base-Base interactions energy: -138.429
where: short stacking energy: -67.959
Base-Backbone interact. energy: -0.211
local terms energy: -68.260443
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -163.159434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.159434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.159434 (E_RNA)
where:
Base-Base interactions energy: -104.393
where: short stacking energy: -63.559
Base-Backbone interact. energy: -0.106
local terms energy: -58.661136
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -10.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -312.529218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.529218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.529218 (E_RNA)
where:
Base-Base interactions energy: -227.370
where: short stacking energy: -90.009
Base-Backbone interact. energy: -0.024
local terms energy: -85.135628
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -275.720363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.720363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.720363 (E_RNA)
where:
Base-Base interactions energy: -190.256
where: short stacking energy: -97.645
Base-Backbone interact. energy: -1.073
local terms energy: -84.391441
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -21.326
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: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -260.042457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.042457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.042457 (E_RNA)
where:
Base-Base interactions energy: -182.999
where: short stacking energy: -90.667
Base-Backbone interact. energy: -0.141
local terms energy: -76.901590
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -248.436421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.436421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.436421 (E_RNA)
where:
Base-Base interactions energy: -172.201
where: short stacking energy: -85.433
Base-Backbone interact. energy: -0.204
local terms energy: -76.030828
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -16.400
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: 30
Temperature: 1.100000
Total energy: -250.646673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.646673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.646673 (E_RNA)
where:
Base-Base interactions energy: -175.688
where: short stacking energy: -87.619
Base-Backbone interact. energy: -0.492
local terms energy: -74.466051
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -223.184240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.184240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.184240 (E_RNA)
where:
Base-Base interactions energy: -154.411
where: short stacking energy: -69.498
Base-Backbone interact. energy: -0.839
local terms energy: -67.933928
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -236.682580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.682580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.682580 (E_RNA)
where:
Base-Base interactions energy: -153.588
where: short stacking energy: -72.798
Base-Backbone interact. energy: -0.022
local terms energy: -83.072510
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -216.556525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.556525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.556525 (E_RNA)
where:
Base-Base interactions energy: -151.768
where: short stacking energy: -74.321
Base-Backbone interact. energy: 0.512
local terms energy: -65.300976
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -169.586968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.586968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.586968 (E_RNA)
where:
Base-Base interactions energy: -109.921
where: short stacking energy: -66.950
Base-Backbone interact. energy: 0.433
local terms energy: -60.099105
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -8.825
flat angles P-C4'-P energy: -9.660
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: 10, replica: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -190.787226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.787226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.787226 (E_RNA)
where:
Base-Base interactions energy: -132.868
where: short stacking energy: -52.196
Base-Backbone interact. energy: -0.731
local terms energy: -57.187826
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -10.287
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -6.588
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: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -313.643994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.643994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.643994 (E_RNA)
where:
Base-Base interactions energy: -220.436
where: short stacking energy: -90.932
Base-Backbone interact. energy: -0.051
local terms energy: -93.157054
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -24.720
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: 2, replica: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -281.277669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.277669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.277669 (E_RNA)
where:
Base-Base interactions energy: -189.946
where: short stacking energy: -97.089
Base-Backbone interact. energy: -1.095
local terms energy: -90.236981
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -23.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -270.591483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.591483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.591483 (E_RNA)
where:
Base-Base interactions energy: -186.490
where: short stacking energy: -93.919
Base-Backbone interact. energy: -0.026
local terms energy: -84.075846
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -261.065143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.065143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.065143 (E_RNA)
where:
Base-Base interactions energy: -185.233
where: short stacking energy: -82.413
Base-Backbone interact. energy: -0.653
local terms energy: -75.179710
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -8.566
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -246.973151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.973151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.973151 (E_RNA)
where:
Base-Base interactions energy: -179.027
where: short stacking energy: -70.765
Base-Backbone interact. energy: -0.034
local terms energy: -67.911338
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -3.864
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -232.873768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.873768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.873768 (E_RNA)
where:
Base-Base interactions energy: -163.160
where: short stacking energy: -75.170
Base-Backbone interact. energy: -0.089
local terms energy: -69.624612
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -13.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -226.000190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.000190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.000190 (E_RNA)
where:
Base-Base interactions energy: -158.571
where: short stacking energy: -70.245
Base-Backbone interact. energy: -0.146
local terms energy: -67.283448
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -5.901
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: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -212.007891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.007891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.007891 (E_RNA)
where:
Base-Base interactions energy: -146.419
where: short stacking energy: -81.281
Base-Backbone interact. energy: -0.089
local terms energy: -65.499127
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -182.822872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.822872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.822872 (E_RNA)
where:
Base-Base interactions energy: -111.044
where: short stacking energy: -67.830
Base-Backbone interact. energy: 0.173
local terms energy: -71.952300
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -224.026812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.026812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.026812 (E_RNA)
where:
Base-Base interactions energy: -156.895
where: short stacking energy: -73.172
Base-Backbone interact. energy: -0.279
local terms energy: -66.853203
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -7.682
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: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -311.618280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.618280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.618280 (E_RNA)
where:
Base-Base interactions energy: -223.754
where: short stacking energy: -85.024
Base-Backbone interact. energy: -0.045
local terms energy: -87.819522
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -23.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -267.008468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.008468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.008468 (E_RNA)
where:
Base-Base interactions energy: -175.274
where: short stacking energy: -93.879
Base-Backbone interact. energy: -1.025
local terms energy: -90.709100
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -24.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -270.333917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.333917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.333917 (E_RNA)
where:
Base-Base interactions energy: -187.505
where: short stacking energy: -97.095
Base-Backbone interact. energy: 1.249
local terms energy: -84.077860
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -21.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -259.379597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.379597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.379597 (E_RNA)
where:
Base-Base interactions energy: -180.686
where: short stacking energy: -94.425
Base-Backbone interact. energy: -0.311
local terms energy: -78.382546
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -252.792689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.792689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.792689 (E_RNA)
where:
Base-Base interactions energy: -192.680
where: short stacking energy: -79.654
Base-Backbone interact. energy: -0.062
local terms energy: -60.051388
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: 0.933
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -245.847662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.847662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.847662 (E_RNA)
where:
Base-Base interactions energy: -176.209
where: short stacking energy: -72.420
Base-Backbone interact. energy: -0.419
local terms energy: -69.219938
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -229.418674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.418674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.418674 (E_RNA)
where:
Base-Base interactions energy: -156.104
where: short stacking energy: -69.075
Base-Backbone interact. energy: -0.206
local terms energy: -73.108589
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -233.104337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.104337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.104337 (E_RNA)
where:
Base-Base interactions energy: -171.640
where: short stacking energy: -75.660
Base-Backbone interact. energy: -0.409
local terms energy: -61.055468
where:
bonds (distance) C4'-P energy: -7.868
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -203.798081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.798081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.798081 (E_RNA)
where:
Base-Base interactions energy: -125.804
where: short stacking energy: -59.845
Base-Backbone interact. energy: -0.012
local terms energy: -77.982058
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -163.386333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.386333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.386333 (E_RNA)
where:
Base-Base interactions energy: -88.377
where: short stacking energy: -53.958
Base-Backbone interact. energy: -0.023
local terms energy: -74.986068
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -314.268942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.268942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.268942 (E_RNA)
where:
Base-Base interactions energy: -224.799
where: short stacking energy: -103.457
Base-Backbone interact. energy: -0.128
local terms energy: -89.342119
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -24.348
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: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -268.817805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.817805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.817805 (E_RNA)
where:
Base-Base interactions energy: -186.702
where: short stacking energy: -103.249
Base-Backbone interact. energy: -0.719
local terms energy: -81.397183
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -259.486035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.486035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.486035 (E_RNA)
where:
Base-Base interactions energy: -173.854
where: short stacking energy: -89.404
Base-Backbone interact. energy: -1.556
local terms energy: -84.075764
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -13.204
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: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -251.149569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.149569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.149569 (E_RNA)
where:
Base-Base interactions energy: -183.068
where: short stacking energy: -72.528
Base-Backbone interact. energy: -0.031
local terms energy: -68.050535
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -13.562
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: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -250.226059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.226059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.226059 (E_RNA)
where:
Base-Base interactions energy: -168.361
where: short stacking energy: -74.856
Base-Backbone interact. energy: -0.102
local terms energy: -81.763057
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -18.953
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: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -242.606804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.606804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.606804 (E_RNA)
where:
Base-Base interactions energy: -163.631
where: short stacking energy: -74.832
Base-Backbone interact. energy: -0.138
local terms energy: -78.838165
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -17.921
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: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -230.252341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.252341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.252341 (E_RNA)
where:
Base-Base interactions energy: -160.414
where: short stacking energy: -77.107
Base-Backbone interact. energy: 0.283
local terms energy: -70.121215
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -201.136994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.136994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.136994 (E_RNA)
where:
Base-Base interactions energy: -125.549
where: short stacking energy: -59.326
Base-Backbone interact. energy: -0.189
local terms energy: -75.399730
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -12.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -214.426185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.426185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.426185 (E_RNA)
where:
Base-Base interactions energy: -147.687
where: short stacking energy: -64.142
Base-Backbone interact. energy: -0.306
local terms energy: -66.432806
where:
bonds (distance) C4'-P energy: -7.750
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -168.267544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.267544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.267544 (E_RNA)
where:
Base-Base interactions energy: -105.596
where: short stacking energy: -61.147
Base-Backbone interact. energy: 0.134
local terms energy: -62.805746
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -14.669
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: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -314.444435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.444435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.444435 (E_RNA)
where:
Base-Base interactions energy: -225.064
where: short stacking energy: -97.060
Base-Backbone interact. energy: -0.325
local terms energy: -89.055674
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -25.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -267.910549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.910549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.910549 (E_RNA)
where:
Base-Base interactions energy: -181.788
where: short stacking energy: -91.956
Base-Backbone interact. energy: -0.062
local terms energy: -86.060989
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -19.951
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: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -258.912115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.912115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.912115 (E_RNA)
where:
Base-Base interactions energy: -173.376
where: short stacking energy: -92.185
Base-Backbone interact. energy: -1.188
local terms energy: -84.347816
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -12.845
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: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -259.155731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.155731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.155731 (E_RNA)
where:
Base-Base interactions energy: -184.753
where: short stacking energy: -86.107
Base-Backbone interact. energy: 0.576
local terms energy: -74.978749
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -9.475
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: 5, replica: 9
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -240.477017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.477017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.477017 (E_RNA)
where:
Base-Base interactions energy: -165.557
where: short stacking energy: -72.132
Base-Backbone interact. energy: -1.115
local terms energy: -73.805243
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -252.011733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.011733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.011733 (E_RNA)
where:
Base-Base interactions energy: -170.943
where: short stacking energy: -69.961
Base-Backbone interact. energy: -0.121
local terms energy: -80.947020
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -9.797
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: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -243.061023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.061023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.061023 (E_RNA)
where:
Base-Base interactions energy: -167.850
where: short stacking energy: -68.826
Base-Backbone interact. energy: -0.550
local terms energy: -74.661229
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -211.623505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.623505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.623505 (E_RNA)
where:
Base-Base interactions energy: -133.617
where: short stacking energy: -69.352
Base-Backbone interact. energy: -0.019
local terms energy: -77.987389
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -20.739
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: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -200.086329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.086329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.086329 (E_RNA)
where:
Base-Base interactions energy: -138.646
where: short stacking energy: -52.846
Base-Backbone interact. energy: -0.071
local terms energy: -61.369009
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -176.491880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.491880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.491880 (E_RNA)
where:
Base-Base interactions energy: -112.762
where: short stacking energy: -49.561
Base-Backbone interact. energy: -0.072
local terms energy: -63.658635
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -6.567
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: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -314.545744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.545744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.545744 (E_RNA)
where:
Base-Base interactions energy: -224.607
where: short stacking energy: -92.948
Base-Backbone interact. energy: -0.021
local terms energy: -89.918067
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -24.652
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: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -261.855369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.855369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.855369 (E_RNA)
where:
Base-Base interactions energy: -176.648
where: short stacking energy: -97.953
Base-Backbone interact. energy: -0.160
local terms energy: -85.047276
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -18.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -265.897919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.897919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.897919 (E_RNA)
where:
Base-Base interactions energy: -183.467
where: short stacking energy: -94.234
Base-Backbone interact. energy: -0.088
local terms energy: -82.343420
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -255.453965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.453965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.453965 (E_RNA)
where:
Base-Base interactions energy: -181.003
where: short stacking energy: -95.725
Base-Backbone interact. energy: -0.312
local terms energy: -74.138259
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -7.698
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: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -247.245617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.245617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.245617 (E_RNA)
where:
Base-Base interactions energy: -168.759
where: short stacking energy: -80.484
Base-Backbone interact. energy: 2.568
local terms energy: -81.055107
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -246.528416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.528416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.528416 (E_RNA)
where:
Base-Base interactions energy: -171.108
where: short stacking energy: -67.184
Base-Backbone interact. energy: -0.446
local terms energy: -74.974795
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -19.864
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: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -255.955775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.955775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.955775 (E_RNA)
where:
Base-Base interactions energy: -189.428
where: short stacking energy: -77.276
Base-Backbone interact. energy: -0.286
local terms energy: -66.241119
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -2.294
tors. eta vs tors. theta energy: -11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -204.364612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.364612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.364612 (E_RNA)
where:
Base-Base interactions energy: -142.358
where: short stacking energy: -82.719
Base-Backbone interact. energy: -0.021
local terms energy: -61.986056
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -16.823
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: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -164.103004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.103004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.103004 (E_RNA)
where:
Base-Base interactions energy: -93.796
where: short stacking energy: -51.366
Base-Backbone interact. energy: -0.907
local terms energy: -69.399601
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -193.178015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.178015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.178015 (E_RNA)
where:
Base-Base interactions energy: -129.296
where: short stacking energy: -67.633
Base-Backbone interact. energy: -0.325
local terms energy: -63.556170
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -10.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -322.025987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.025987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.025987 (E_RNA)
where:
Base-Base interactions energy: -229.481
where: short stacking energy: -99.819
Base-Backbone interact. energy: -0.092
local terms energy: -92.452543
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -26.083
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: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -264.665639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.665639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.665639 (E_RNA)
where:
Base-Base interactions energy: -177.551
where: short stacking energy: -87.996
Base-Backbone interact. energy: -0.726
local terms energy: -86.388398
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -23.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -253.992050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.992050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.992050 (E_RNA)
where:
Base-Base interactions energy: -169.784
where: short stacking energy: -81.536
Base-Backbone interact. energy: -1.921
local terms energy: -82.286660
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -25.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -252.974534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.974534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.974534 (E_RNA)
where:
Base-Base interactions energy: -183.995
where: short stacking energy: -90.166
Base-Backbone interact. energy: -0.104
local terms energy: -68.875437
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -8.584
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -250.148815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.148815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.148815 (E_RNA)
where:
Base-Base interactions energy: -174.013
where: short stacking energy: -79.487
Base-Backbone interact. energy: -0.047
local terms energy: -76.088514
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -250.804607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.804607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.804607 (E_RNA)
where:
Base-Base interactions energy: -174.751
where: short stacking energy: -75.688
Base-Backbone interact. energy: -0.163
local terms energy: -75.890408
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -245.561588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.561588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.561588 (E_RNA)
where:
Base-Base interactions energy: -170.095
where: short stacking energy: -68.384
Base-Backbone interact. energy: -2.176
local terms energy: -73.290475
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -14.740
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: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -201.453226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.453226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.453226 (E_RNA)
where:
Base-Base interactions energy: -127.001
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.395
local terms energy: -74.057376
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -183.786755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.786755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.786755 (E_RNA)
where:
Base-Base interactions energy: -124.058
where: short stacking energy: -51.189
Base-Backbone interact. energy: -0.108
local terms energy: -59.620704
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -164.759482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.759482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.759482 (E_RNA)
where:
Base-Base interactions energy: -102.361
where: short stacking energy: -56.618
Base-Backbone interact. energy: -0.086
local terms energy: -62.312665
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -13.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -313.748093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.748093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.748093 (E_RNA)
where:
Base-Base interactions energy: -229.374
where: short stacking energy: -98.514
Base-Backbone interact. energy: -0.172
local terms energy: -84.201729
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -25.154
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: 37
Temperature: 0.950000
Total energy: -275.429858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.429858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.429858 (E_RNA)
where:
Base-Base interactions energy: -187.257
where: short stacking energy: -83.539
Base-Backbone interact. energy: -0.175
local terms energy: -87.997670
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -269.068357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.068357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.068357 (E_RNA)
where:
Base-Base interactions energy: -181.438
where: short stacking energy: -93.852
Base-Backbone interact. energy: -0.015
local terms energy: -87.615059
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -23.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -261.744633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.744633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.744633 (E_RNA)
where:
Base-Base interactions energy: -179.179
where: short stacking energy: -83.622
Base-Backbone interact. energy: -0.002
local terms energy: -82.563419
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -16.487
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: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -255.214958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.214958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.214958 (E_RNA)
where:
Base-Base interactions energy: -180.150
where: short stacking energy: -88.654
Base-Backbone interact. energy: -0.209
local terms energy: -74.855812
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -245.944943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.944943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.944943 (E_RNA)
where:
Base-Base interactions energy: -172.715
where: short stacking energy: -74.668
Base-Backbone interact. energy: -0.156
local terms energy: -73.073760
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -17.115
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: 37
Temperature: 1.200000
Total energy: -235.940559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.940559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.940559 (E_RNA)
where:
Base-Base interactions energy: -167.037
where: short stacking energy: -73.897
Base-Backbone interact. energy: -0.032
local terms energy: -68.871893
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -202.403474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.403474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.403474 (E_RNA)
where:
Base-Base interactions energy: -140.530
where: short stacking energy: -70.068
Base-Backbone interact. energy: -0.134
local terms energy: -61.739773
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -11.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -226.662314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.662314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.662314 (E_RNA)
where:
Base-Base interactions energy: -152.229
where: short stacking energy: -73.812
Base-Backbone interact. energy: -0.516
local terms energy: -73.916754
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -154.638382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.638382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.638382 (E_RNA)
where:
Base-Base interactions energy: -100.215
where: short stacking energy: -46.841
Base-Backbone interact. energy: 0.833
local terms energy: -55.256807
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -316.145406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.145406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.145406 (E_RNA)
where:
Base-Base interactions energy: -234.644
where: short stacking energy: -104.352
Base-Backbone interact. energy: -0.000
local terms energy: -81.501410
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -25.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -277.474198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.474198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.474198 (E_RNA)
where:
Base-Base interactions energy: -191.867
where: short stacking energy: -84.488
Base-Backbone interact. energy: -0.030
local terms energy: -85.577685
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -273.694750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.694750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.694750 (E_RNA)
where:
Base-Base interactions energy: -191.319
where: short stacking energy: -90.773
Base-Backbone interact. energy: -0.536
local terms energy: -81.839694
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -253.340526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.340526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.340526 (E_RNA)
where:
Base-Base interactions energy: -168.227
where: short stacking energy: -86.832
Base-Backbone interact. energy: -0.038
local terms energy: -85.075028
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -20.322
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: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -257.080515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.080515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.080515 (E_RNA)
where:
Base-Base interactions energy: -176.526
where: short stacking energy: -72.149
Base-Backbone interact. energy: -1.685
local terms energy: -78.869580
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -11.213
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: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -244.359242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.359242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.359242 (E_RNA)
where:
Base-Base interactions energy: -173.953
where: short stacking energy: -78.521
Base-Backbone interact. energy: -0.205
local terms energy: -70.201575
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -4.107
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: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -227.931106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.931106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.931106 (E_RNA)
where:
Base-Base interactions energy: -153.920
where: short stacking energy: -62.867
Base-Backbone interact. energy: -0.840
local terms energy: -73.170601
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -15.424
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: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -205.877532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.877532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.877532 (E_RNA)
where:
Base-Base interactions energy: -145.176
where: short stacking energy: -60.722
Base-Backbone interact. energy: 0.592
local terms energy: -61.293293
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -10.247
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: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -214.232628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.232628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.232628 (E_RNA)
where:
Base-Base interactions energy: -151.671
where: short stacking energy: -55.626
Base-Backbone interact. energy: -0.054
local terms energy: -62.507765
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -8.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -191.875493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.875493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.875493 (E_RNA)
where:
Base-Base interactions energy: -121.567
where: short stacking energy: -59.856
Base-Backbone interact. energy: -0.350
local terms energy: -69.959205
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -12.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -317.920463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.920463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.920463 (E_RNA)
where:
Base-Base interactions energy: -233.417
where: short stacking energy: -97.201
Base-Backbone interact. energy: -0.044
local terms energy: -84.460109
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -25.632
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: 39
Temperature: 0.950000
Total energy: -281.956878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.956878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.956878 (E_RNA)
where:
Base-Base interactions energy: -205.779
where: short stacking energy: -93.943
Base-Backbone interact. energy: -0.039
local terms energy: -76.139038
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -19.279
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: 9
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -262.046892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.046892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.046892 (E_RNA)
where:
Base-Base interactions energy: -170.062
where: short stacking energy: -87.051
Base-Backbone interact. energy: -0.659
local terms energy: -91.326669
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -23.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -251.559731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.559731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.559731 (E_RNA)
where:
Base-Base interactions energy: -182.223
where: short stacking energy: -73.515
Base-Backbone interact. energy: 0.781
local terms energy: -70.117659
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -11.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -243.858941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.858941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.858941 (E_RNA)
where:
Base-Base interactions energy: -163.117
where: short stacking energy: -79.458
Base-Backbone interact. energy: -1.012
local terms energy: -79.730236
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -20.248
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: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -226.702268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.702268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.702268 (E_RNA)
where:
Base-Base interactions energy: -167.534
where: short stacking energy: -69.361
Base-Backbone interact. energy: 0.283
local terms energy: -59.451593
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -6.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -242.830051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.830051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.830051 (E_RNA)
where:
Base-Base interactions energy: -164.608
where: short stacking energy: -73.141
Base-Backbone interact. energy: -0.706
local terms energy: -77.515473
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -16.416
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: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -249.478903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.478903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.478903 (E_RNA)
where:
Base-Base interactions energy: -171.221
where: short stacking energy: -82.345
Base-Backbone interact. energy: -0.110
local terms energy: -78.147884
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -191.758659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.758659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.758659 (E_RNA)
where:
Base-Base interactions energy: -125.297
where: short stacking energy: -49.736
Base-Backbone interact. energy: -0.131
local terms energy: -66.331071
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -8.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -183.055868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.055868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.055868 (E_RNA)
where:
Base-Base interactions energy: -115.922
where: short stacking energy: -57.881
Base-Backbone interact. energy: -1.085
local terms energy: -66.048539
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -7.863
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: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -306.615361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.615361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.615361 (E_RNA)
where:
Base-Base interactions energy: -223.746
where: short stacking energy: -93.768
Base-Backbone interact. energy: -0.099
local terms energy: -82.769973
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -20.375
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: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -309.605944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.605944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.605944 (E_RNA)
where:
Base-Base interactions energy: -222.246
where: short stacking energy: -96.330
Base-Backbone interact. energy: -0.604
local terms energy: -86.756338
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -25.082
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: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -266.446794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.446794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.446794 (E_RNA)
where:
Base-Base interactions energy: -186.610
where: short stacking energy: -79.520
Base-Backbone interact. energy: -0.546
local terms energy: -79.290421
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -265.333547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.333547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.333547 (E_RNA)
where:
Base-Base interactions energy: -174.640
where: short stacking energy: -92.381
Base-Backbone interact. energy: -0.417
local terms energy: -90.276304
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -26.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -248.146640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.146640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.146640 (E_RNA)
where:
Base-Base interactions energy: -191.390
where: short stacking energy: -83.339
Base-Backbone interact. energy: -0.007
local terms energy: -56.749140
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -0.774
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: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -245.929599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.929599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.929599 (E_RNA)
where:
Base-Base interactions energy: -168.674
where: short stacking energy: -87.669
Base-Backbone interact. energy: -0.108
local terms energy: -77.147081
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -17.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -269.075647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.075647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.075647 (E_RNA)
where:
Base-Base interactions energy: -192.493
where: short stacking energy: -82.435
Base-Backbone interact. energy: -0.061
local terms energy: -76.521598
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -14.972
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: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -234.300118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.300118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.300118 (E_RNA)
where:
Base-Base interactions energy: -164.816
where: short stacking energy: -82.502
Base-Backbone interact. energy: -0.547
local terms energy: -68.936947
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -199.830863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.830863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.830863 (E_RNA)
where:
Base-Base interactions energy: -125.241
where: short stacking energy: -62.901
Base-Backbone interact. energy: -1.137
local terms energy: -73.452548
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -11.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -170.254452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.254452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.254452 (E_RNA)
where:
Base-Base interactions energy: -106.044
where: short stacking energy: -62.184
Base-Backbone interact. energy: -0.007
local terms energy: -64.203836
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -295.662180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.662180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.662180 (E_RNA)
where:
Base-Base interactions energy: -209.719
where: short stacking energy: -92.222
Base-Backbone interact. energy: -0.144
local terms energy: -85.799589
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -308.442486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.442486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.442486 (E_RNA)
where:
Base-Base interactions energy: -224.039
where: short stacking energy: -101.318
Base-Backbone interact. energy: -0.011
local terms energy: -84.392375
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -25.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -260.418320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.418320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.418320 (E_RNA)
where:
Base-Base interactions energy: -184.992
where: short stacking energy: -75.415
Base-Backbone interact. energy: -2.381
local terms energy: -73.045465
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -19.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -261.521695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.521695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.521695 (E_RNA)
where:
Base-Base interactions energy: -176.598
where: short stacking energy: -88.331
Base-Backbone interact. energy: -1.393
local terms energy: -83.531167
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -23.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -237.147455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.147455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.147455 (E_RNA)
where:
Base-Base interactions energy: -176.507
where: short stacking energy: -75.092
Base-Backbone interact. energy: 0.300
local terms energy: -60.940985
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -11.138
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: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -271.054183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.054183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.054183 (E_RNA)
where:
Base-Base interactions energy: -187.868
where: short stacking energy: -83.894
Base-Backbone interact. energy: -0.015
local terms energy: -83.171520
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -19.387
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: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -225.386787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.386787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.386787 (E_RNA)
where:
Base-Base interactions energy: -148.045
where: short stacking energy: -79.138
Base-Backbone interact. energy: -0.068
local terms energy: -77.273877
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -223.636354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.636354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.636354 (E_RNA)
where:
Base-Base interactions energy: -152.111
where: short stacking energy: -80.621
Base-Backbone interact. energy: -0.036
local terms energy: -71.489069
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -10.930
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: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -183.715010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.715010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.715010 (E_RNA)
where:
Base-Base interactions energy: -128.425
where: short stacking energy: -72.744
Base-Backbone interact. energy: -0.106
local terms energy: -55.184068
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -140.462350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.462350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.462350 (E_RNA)
where:
Base-Base interactions energy: -91.098
where: short stacking energy: -51.779
Base-Backbone interact. energy: -0.630
local terms energy: -48.734259
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: -5.213
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: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -316.372504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.372504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.372504 (E_RNA)
where:
Base-Base interactions energy: -225.737
where: short stacking energy: -91.277
Base-Backbone interact. energy: -0.254
local terms energy: -90.381667
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -23.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -291.418988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.418988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.418988 (E_RNA)
where:
Base-Base interactions energy: -207.968
where: short stacking energy: -94.274
Base-Backbone interact. energy: -0.044
local terms energy: -83.407129
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -267.466607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.466607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.466607 (E_RNA)
where:
Base-Base interactions energy: -180.107
where: short stacking energy: -84.031
Base-Backbone interact. energy: -0.701
local terms energy: -86.658957
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -22.217
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: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -257.646210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.646210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.646210 (E_RNA)
where:
Base-Base interactions energy: -180.424
where: short stacking energy: -79.519
Base-Backbone interact. energy: 1.193
local terms energy: -78.414713
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -288.301339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.301339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.301339 (E_RNA)
where:
Base-Base interactions energy: -206.831
where: short stacking energy: -82.405
Base-Backbone interact. energy: -0.002
local terms energy: -81.468003
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -239.776297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.776297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.776297 (E_RNA)
where:
Base-Base interactions energy: -169.811
where: short stacking energy: -72.488
Base-Backbone interact. energy: 0.171
local terms energy: -70.135844
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -13.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -239.208096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.208096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.208096 (E_RNA)
where:
Base-Base interactions energy: -162.805
where: short stacking energy: -77.506
Base-Backbone interact. energy: -0.032
local terms energy: -76.370380
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -12.063
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: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -211.263207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.263207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.263207 (E_RNA)
where:
Base-Base interactions energy: -143.477
where: short stacking energy: -64.361
Base-Backbone interact. energy: -0.007
local terms energy: -67.778704
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -186.351789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.351789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.351789 (E_RNA)
where:
Base-Base interactions energy: -116.130
where: short stacking energy: -54.834
Base-Backbone interact. energy: -0.086
local terms energy: -70.136079
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -100.571876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.571876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.571876 (E_RNA)
where:
Base-Base interactions energy: -53.588
where: short stacking energy: -32.429
Base-Backbone interact. energy: -0.129
local terms energy: -46.854823
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: 3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -312.175418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.175418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.175418 (E_RNA)
where:
Base-Base interactions energy: -224.554
where: short stacking energy: -98.585
Base-Backbone interact. energy: -0.240
local terms energy: -87.381445
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -23.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -283.013175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.013175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.013175 (E_RNA)
where:
Base-Base interactions energy: -203.901
where: short stacking energy: -85.099
Base-Backbone interact. energy: -0.051
local terms energy: -79.060309
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -21.536
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: 43
Temperature: 1.000000
Total energy: -268.038581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.038581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.038581 (E_RNA)
where:
Base-Base interactions energy: -183.345
where: short stacking energy: -89.959
Base-Backbone interact. energy: -1.517
local terms energy: -83.176964
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -24.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -302.954808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.954808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.954808 (E_RNA)
where:
Base-Base interactions energy: -221.375
where: short stacking energy: -97.952
Base-Backbone interact. energy: 0.392
local terms energy: -81.971233
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -22.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -254.610590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.610590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.610590 (E_RNA)
where:
Base-Base interactions energy: -179.488
where: short stacking energy: -82.710
Base-Backbone interact. energy: -0.243
local terms energy: -74.879580
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -9.272
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: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -237.144000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.144000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.144000 (E_RNA)
where:
Base-Base interactions energy: -172.375
where: short stacking energy: -84.311
Base-Backbone interact. energy: -0.028
local terms energy: -64.741503
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -9.149
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -14.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -237.919366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.919366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.919366 (E_RNA)
where:
Base-Base interactions energy: -168.352
where: short stacking energy: -70.691
Base-Backbone interact. energy: -0.089
local terms energy: -69.478735
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -6.979
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: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -183.039699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.039699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.039699 (E_RNA)
where:
Base-Base interactions energy: -122.368
where: short stacking energy: -51.862
Base-Backbone interact. energy: -0.394
local terms energy: -60.277992
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -12.928
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: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -181.986909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.986909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.986909 (E_RNA)
where:
Base-Base interactions energy: -120.378
where: short stacking energy: -66.397
Base-Backbone interact. energy: -0.175
local terms energy: -61.433182
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -95.774604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.774604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.774604 (E_RNA)
where:
Base-Base interactions energy: -45.107
where: short stacking energy: -40.936
Base-Backbone interact. energy: 3.615
local terms energy: -54.282849
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -0.405
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: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -317.314598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.314598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.314598 (E_RNA)
where:
Base-Base interactions energy: -237.425
where: short stacking energy: -105.992
Base-Backbone interact. energy: -0.010
local terms energy: -79.878976
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -27.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -286.083543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.083543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.083543 (E_RNA)
where:
Base-Base interactions energy: -209.438
where: short stacking energy: -97.492
Base-Backbone interact. energy: 1.080
local terms energy: -77.725758
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -18.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -308.885593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.885593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.885593 (E_RNA)
where:
Base-Base interactions energy: -213.707
where: short stacking energy: -98.444
Base-Backbone interact. energy: -0.005
local terms energy: -95.173247
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -24.389
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: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -262.404084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.404084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.404084 (E_RNA)
where:
Base-Base interactions energy: -176.997
where: short stacking energy: -90.288
Base-Backbone interact. energy: 1.103
local terms energy: -86.510568
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -21.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -250.402118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.402118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.402118 (E_RNA)
where:
Base-Base interactions energy: -175.785
where: short stacking energy: -83.096
Base-Backbone interact. energy: -0.069
local terms energy: -74.548167
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -241.773460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.773460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.773460 (E_RNA)
where:
Base-Base interactions energy: -167.684
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.628
local terms energy: -73.461170
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -223.270204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.270204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.270204 (E_RNA)
where:
Base-Base interactions energy: -160.985
where: short stacking energy: -61.418
Base-Backbone interact. energy: -0.319
local terms energy: -61.965927
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -206.864154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.864154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.864154 (E_RNA)
where:
Base-Base interactions energy: -147.170
where: short stacking energy: -74.134
Base-Backbone interact. energy: -0.429
local terms energy: -59.264995
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -12.428
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: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -173.848095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.848095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.848095 (E_RNA)
where:
Base-Base interactions energy: -111.291
where: short stacking energy: -46.240
Base-Backbone interact. energy: -0.171
local terms energy: -62.385906
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -6.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -135.879539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.879539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.879539 (E_RNA)
where:
Base-Base interactions energy: -82.207
where: short stacking energy: -54.648
Base-Backbone interact. energy: -0.188
local terms energy: -53.484801
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -318.907791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.907791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.907791 (E_RNA)
where:
Base-Base interactions energy: -237.251
where: short stacking energy: -107.913
Base-Backbone interact. energy: -0.183
local terms energy: -81.473431
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -24.649
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: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -288.805782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.805782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.805782 (E_RNA)
where:
Base-Base interactions energy: -209.265
where: short stacking energy: -82.722
Base-Backbone interact. energy: -0.048
local terms energy: -79.492789
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -308.760758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.760758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.760758 (E_RNA)
where:
Base-Base interactions energy: -219.346
where: short stacking energy: -91.437
Base-Backbone interact. energy: -0.213
local terms energy: -89.201445
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -24.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -261.973845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.973845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.973845 (E_RNA)
where:
Base-Base interactions energy: -181.571
where: short stacking energy: -89.714
Base-Backbone interact. energy: -0.256
local terms energy: -80.147152
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -251.688780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.688780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.688780 (E_RNA)
where:
Base-Base interactions energy: -168.886
where: short stacking energy: -90.933
Base-Backbone interact. energy: -0.001
local terms energy: -82.801907
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -21.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -244.082368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.082368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.082368 (E_RNA)
where:
Base-Base interactions energy: -177.924
where: short stacking energy: -78.090
Base-Backbone interact. energy: 3.012
local terms energy: -69.170798
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -240.444255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.444255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.444255 (E_RNA)
where:
Base-Base interactions energy: -168.557
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.011
local terms energy: -71.877201
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -12.457
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: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -215.386751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.386751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.386751 (E_RNA)
where:
Base-Base interactions energy: -145.695
where: short stacking energy: -72.743
Base-Backbone interact. energy: 0.644
local terms energy: -70.335533
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -19.608
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: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -167.324110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.324110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.324110 (E_RNA)
where:
Base-Base interactions energy: -98.499
where: short stacking energy: -55.563
Base-Backbone interact. energy: -0.402
local terms energy: -68.422961
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -11.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -153.151374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.151374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.151374 (E_RNA)
where:
Base-Base interactions energy: -108.792
where: short stacking energy: -48.576
Base-Backbone interact. energy: -0.224
local terms energy: -44.135231
where:
bonds (distance) C4'-P energy: -8.028
bonds (distance) P-C4' energy: -7.193
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -9.827
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: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -322.108181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.108181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.108181 (E_RNA)
where:
Base-Base interactions energy: -241.685
where: short stacking energy: -106.112
Base-Backbone interact. energy: -0.004
local terms energy: -80.418999
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -23.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -295.796268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.796268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.796268 (E_RNA)
where:
Base-Base interactions energy: -220.303
where: short stacking energy: -93.880
Base-Backbone interact. energy: -0.028
local terms energy: -75.465069
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -3.189
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -304.462285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.462285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.462285 (E_RNA)
where:
Base-Base interactions energy: -222.066
where: short stacking energy: -88.914
Base-Backbone interact. energy: 1.105
local terms energy: -83.501089
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -254.289580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.289580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.289580 (E_RNA)
where:
Base-Base interactions energy: -174.227
where: short stacking energy: -83.990
Base-Backbone interact. energy: -0.177
local terms energy: -79.886036
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -255.380390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.380390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.380390 (E_RNA)
where:
Base-Base interactions energy: -178.031
where: short stacking energy: -75.098
Base-Backbone interact. energy: -0.092
local terms energy: -77.256620
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -16.196
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: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -254.902079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.902079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.902079 (E_RNA)
where:
Base-Base interactions energy: -169.936
where: short stacking energy: -85.696
Base-Backbone interact. energy: -0.541
local terms energy: -84.424550
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -18.358
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: 46
Temperature: 1.200000
Total energy: -243.526701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.526701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.526701 (E_RNA)
where:
Base-Base interactions energy: -175.689
where: short stacking energy: -71.334
Base-Backbone interact. energy: -0.186
local terms energy: -67.651442
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -15.011
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: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -208.692829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.692829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.692829 (E_RNA)
where:
Base-Base interactions energy: -143.566
where: short stacking energy: -66.028
Base-Backbone interact. energy: -0.018
local terms energy: -65.108731
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -164.391083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.391083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.391083 (E_RNA)
where:
Base-Base interactions energy: -111.085
where: short stacking energy: -60.570
Base-Backbone interact. energy: 1.047
local terms energy: -54.353280
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -156.806705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.806705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.806705 (E_RNA)
where:
Base-Base interactions energy: -97.309
where: short stacking energy: -51.456
Base-Backbone interact. energy: -0.327
local terms energy: -59.170842
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -8.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -325.875375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.875375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.875375 (E_RNA)
where:
Base-Base interactions energy: -239.054
where: short stacking energy: -102.612
Base-Backbone interact. energy: -0.037
local terms energy: -86.784434
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -22.835
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: 47
Temperature: 0.950000
Total energy: -312.756602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.756602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.756602 (E_RNA)
where:
Base-Base interactions energy: -226.918
where: short stacking energy: -102.131
Base-Backbone interact. energy: -0.011
local terms energy: -85.827616
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -23.875
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: 47
Temperature: 1.000000
Total energy: -283.648434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.648434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.648434 (E_RNA)
where:
Base-Base interactions energy: -205.152
where: short stacking energy: -84.381
Base-Backbone interact. energy: -0.082
local terms energy: -78.414235
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.071
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: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -259.604192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.604192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.604192 (E_RNA)
where:
Base-Base interactions energy: -172.601
where: short stacking energy: -85.840
Base-Backbone interact. energy: -0.320
local terms energy: -86.683002
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -253.669255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.669255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.669255 (E_RNA)
where:
Base-Base interactions energy: -174.898
where: short stacking energy: -80.709
Base-Backbone interact. energy: -0.053
local terms energy: -78.718269
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -9.523
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: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -243.930510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.930510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.930510 (E_RNA)
where:
Base-Base interactions energy: -170.635
where: short stacking energy: -79.999
Base-Backbone interact. energy: -0.031
local terms energy: -73.264809
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -17.338
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: 47
Temperature: 1.200000
Total energy: -238.582305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.582305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.582305 (E_RNA)
where:
Base-Base interactions energy: -164.402
where: short stacking energy: -80.302
Base-Backbone interact. energy: -0.253
local terms energy: -73.927147
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -21.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -207.803310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.803310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.803310 (E_RNA)
where:
Base-Base interactions energy: -132.294
where: short stacking energy: -69.168
Base-Backbone interact. energy: -0.829
local terms energy: -74.680454
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -14.480
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: 1
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -165.696498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.696498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.696498 (E_RNA)
where:
Base-Base interactions energy: -106.061
where: short stacking energy: -50.319
Base-Backbone interact. energy: -0.364
local terms energy: -59.271894
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -113.357523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.357523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.357523 (E_RNA)
where:
Base-Base interactions energy: -59.914
where: short stacking energy: -38.437
Base-Backbone interact. energy: -0.370
local terms energy: -53.073740
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -321.447719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.447719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.447719 (E_RNA)
where:
Base-Base interactions energy: -232.357
where: short stacking energy: -99.084
Base-Backbone interact. energy: -0.004
local terms energy: -89.086824
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -26.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -313.454879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.454879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.454879 (E_RNA)
where:
Base-Base interactions energy: -227.412
where: short stacking energy: -100.487
Base-Backbone interact. energy: -0.014
local terms energy: -86.028463
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -23.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -261.853002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.853002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.853002 (E_RNA)
where:
Base-Base interactions energy: -178.869
where: short stacking energy: -84.821
Base-Backbone interact. energy: -0.337
local terms energy: -82.646359
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -280.099713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.099713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.099713 (E_RNA)
where:
Base-Base interactions energy: -203.623
where: short stacking energy: -75.080
Base-Backbone interact. energy: -0.086
local terms energy: -76.391138
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -246.209593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.209593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.209593 (E_RNA)
where:
Base-Base interactions energy: -174.635
where: short stacking energy: -77.578
Base-Backbone interact. energy: 0.660
local terms energy: -72.234985
where:
bonds (distance) C4'-P energy: -7.376
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -15.574
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: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -237.387689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.387689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.387689 (E_RNA)
where:
Base-Base interactions energy: -168.334
where: short stacking energy: -72.968
Base-Backbone interact. energy: -0.112
local terms energy: -68.942438
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -3.061
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -244.319044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.319044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.319044 (E_RNA)
where:
Base-Base interactions energy: -165.491
where: short stacking energy: -72.727
Base-Backbone interact. energy: -0.190
local terms energy: -78.638643
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -212.322533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.322533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.322533 (E_RNA)
where:
Base-Base interactions energy: -152.005
where: short stacking energy: -67.728
Base-Backbone interact. energy: -0.721
local terms energy: -59.597198
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -10.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -176.914414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.914414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.914414 (E_RNA)
where:
Base-Base interactions energy: -110.589
where: short stacking energy: -52.154
Base-Backbone interact. energy: -0.737
local terms energy: -65.588000
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -8.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -101.303313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.303313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.303313 (E_RNA)
where:
Base-Base interactions energy: -49.324
where: short stacking energy: -27.215
Base-Backbone interact. energy: -0.207
local terms energy: -51.772722
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: 0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -319.799119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.799119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.799119 (E_RNA)
where:
Base-Base interactions energy: -227.823
where: short stacking energy: -94.720
Base-Backbone interact. energy: -0.233
local terms energy: -91.742620
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -27.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -313.079485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.079485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.079485 (E_RNA)
where:
Base-Base interactions energy: -233.778
where: short stacking energy: -102.810
Base-Backbone interact. energy: -0.010
local terms energy: -79.290966
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -21.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -257.896154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.896154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.896154 (E_RNA)
where:
Base-Base interactions energy: -178.539
where: short stacking energy: -83.246
Base-Backbone interact. energy: -0.300
local terms energy: -79.057066
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -252.597019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.597019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.597019 (E_RNA)
where:
Base-Base interactions energy: -171.223
where: short stacking energy: -80.716
Base-Backbone interact. energy: 0.246
local terms energy: -81.620100
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -11.002
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: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -251.145457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.145457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.145457 (E_RNA)
where:
Base-Base interactions energy: -176.457
where: short stacking energy: -76.594
Base-Backbone interact. energy: -0.117
local terms energy: -74.571365
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -20.247
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: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -249.396551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.396551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.396551 (E_RNA)
where:
Base-Base interactions energy: -172.232
where: short stacking energy: -78.086
Base-Backbone interact. energy: -0.007
local terms energy: -77.157853
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -237.622033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.622033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.622033 (E_RNA)
where:
Base-Base interactions energy: -162.317
where: short stacking energy: -89.156
Base-Backbone interact. energy: -0.311
local terms energy: -74.993822
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -20.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -171.847749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.847749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.847749 (E_RNA)
where:
Base-Base interactions energy: -114.190
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.625
local terms energy: -57.033087
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -10.159
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -228.937871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.937871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.937871 (E_RNA)
where:
Base-Base interactions energy: -151.209
where: short stacking energy: -75.096
Base-Backbone interact. energy: -1.958
local terms energy: -75.770712
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -13.832
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: 49
Temperature: 1.350000
Total energy: -109.435314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.435314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.435314 (E_RNA)
where:
Base-Base interactions energy: -58.301
where: short stacking energy: -50.309
Base-Backbone interact. energy: -0.249
local terms energy: -50.885350
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -316.392569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.392569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.392569 (E_RNA)
where:
Base-Base interactions energy: -227.867
where: short stacking energy: -100.011
Base-Backbone interact. energy: -0.010
local terms energy: -88.516145
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -23.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -319.081884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.081884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.081884 (E_RNA)
where:
Base-Base interactions energy: -228.604
where: short stacking energy: -104.785
Base-Backbone interact. energy: -0.001
local terms energy: -90.477084
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -26.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -259.223317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.223317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.223317 (E_RNA)
where:
Base-Base interactions energy: -180.797
where: short stacking energy: -75.148
Base-Backbone interact. energy: 0.051
local terms energy: -78.477488
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -12.098
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: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -261.163221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.163221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.163221 (E_RNA)
where:
Base-Base interactions energy: -184.028
where: short stacking energy: -85.490
Base-Backbone interact. energy: -0.636
local terms energy: -76.499349
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -244.775319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.775319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.775319 (E_RNA)
where:
Base-Base interactions energy: -181.785
where: short stacking energy: -70.266
Base-Backbone interact. energy: 0.281
local terms energy: -63.271559
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -248.360602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.360602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.360602 (E_RNA)
where:
Base-Base interactions energy: -174.523
where: short stacking energy: -72.675
Base-Backbone interact. energy: -0.241
local terms energy: -73.596382
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -16.797
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: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -240.963399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.963399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.963399 (E_RNA)
where:
Base-Base interactions energy: -161.357
where: short stacking energy: -75.157
Base-Backbone interact. energy: -0.172
local terms energy: -79.434302
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -169.102923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.102923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.102923 (E_RNA)
where:
Base-Base interactions energy: -107.930
where: short stacking energy: -50.154
Base-Backbone interact. energy: 0.161
local terms energy: -61.333519
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -6.494
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: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -220.988795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.988795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.988795 (E_RNA)
where:
Base-Base interactions energy: -154.904
where: short stacking energy: -80.033
Base-Backbone interact. energy: -0.277
local terms energy: -65.807962
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -92.547140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.547140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.547140 (E_RNA)
where:
Base-Base interactions energy: -35.363
where: short stacking energy: -33.481
Base-Backbone interact. energy: -0.206
local terms energy: -56.977376
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -310.055165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.055165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.055165 (E_RNA)
where:
Base-Base interactions energy: -223.249
where: short stacking energy: -94.466
Base-Backbone interact. energy: 0.341
local terms energy: -87.147559
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -21.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -324.770645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.770645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.770645 (E_RNA)
where:
Base-Base interactions energy: -236.508
where: short stacking energy: -95.166
Base-Backbone interact. energy: -0.007
local terms energy: -88.255740
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -25.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -255.476739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.476739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.476739 (E_RNA)
where:
Base-Base interactions energy: -183.417
where: short stacking energy: -82.787
Base-Backbone interact. energy: -0.367
local terms energy: -71.692402
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -256.690810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.690810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.690810 (E_RNA)
where:
Base-Base interactions energy: -179.308
where: short stacking energy: -89.702
Base-Backbone interact. energy: -0.395
local terms energy: -76.988342
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -252.912789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.912789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.912789 (E_RNA)
where:
Base-Base interactions energy: -167.804
where: short stacking energy: -74.642
Base-Backbone interact. energy: -0.140
local terms energy: -84.969290
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -14.303
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: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -262.809034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.809034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.809034 (E_RNA)
where:
Base-Base interactions energy: -191.504
where: short stacking energy: -82.076
Base-Backbone interact. energy: -0.140
local terms energy: -71.165075
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -1.889
tors. eta vs tors. theta energy: -16.526
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: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -237.642887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.642887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.642887 (E_RNA)
where:
Base-Base interactions energy: -163.529
where: short stacking energy: -80.411
Base-Backbone interact. energy: -0.255
local terms energy: -73.858452
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -235.951199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.951199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.951199 (E_RNA)
where:
Base-Base interactions energy: -172.124
where: short stacking energy: -85.648
Base-Backbone interact. energy: -1.122
local terms energy: -62.705454
where:
bonds (distance) C4'-P energy: -8.401
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -9.304
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: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -162.042829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.042829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.042829 (E_RNA)
where:
Base-Base interactions energy: -104.506
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.261
local terms energy: -57.276022
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -116.944710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.944710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.944710 (E_RNA)
where:
Base-Base interactions energy: -66.868
where: short stacking energy: -38.480
Base-Backbone interact. energy: 0.189
local terms energy: -50.265303
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -3.830
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -309.228874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.228874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.228874 (E_RNA)
where:
Base-Base interactions energy: -215.913
where: short stacking energy: -91.603
Base-Backbone interact. energy: -0.183
local terms energy: -93.132824
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -26.020
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: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -314.074267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.074267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.074267 (E_RNA)
where:
Base-Base interactions energy: -230.015
where: short stacking energy: -101.476
Base-Backbone interact. energy: -0.580
local terms energy: -83.479103
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -23.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -266.306696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.306696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.306696 (E_RNA)
where:
Base-Base interactions energy: -188.656
where: short stacking energy: -83.840
Base-Backbone interact. energy: -0.118
local terms energy: -77.532835
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -267.299379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.299379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.299379 (E_RNA)
where:
Base-Base interactions energy: -187.226
where: short stacking energy: -91.464
Base-Backbone interact. energy: -0.012
local terms energy: -80.060809
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -251.152852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.152852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.152852 (E_RNA)
where:
Base-Base interactions energy: -186.351
where: short stacking energy: -76.783
Base-Backbone interact. energy: -0.130
local terms energy: -64.672440
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: 1.000
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -220.607310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.607310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.607310 (E_RNA)
where:
Base-Base interactions energy: -151.741
where: short stacking energy: -68.823
Base-Backbone interact. energy: -0.173
local terms energy: -68.693095
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -10.185
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: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -239.023443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.023443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.023443 (E_RNA)
where:
Base-Base interactions energy: -159.221
where: short stacking energy: -72.815
Base-Backbone interact. energy: -0.353
local terms energy: -79.449600
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -16.610
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: 52
Temperature: 1.250000
Total energy: -236.262517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.262517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.262517 (E_RNA)
where:
Base-Base interactions energy: -163.456
where: short stacking energy: -80.916
Base-Backbone interact. energy: -1.048
local terms energy: -71.758805
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -20.555
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: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -196.014457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.014457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.014457 (E_RNA)
where:
Base-Base interactions energy: -137.197
where: short stacking energy: -65.394
Base-Backbone interact. energy: -2.062
local terms energy: -56.755958
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.623
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: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -177.024266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.024266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.024266 (E_RNA)
where:
Base-Base interactions energy: -114.465
where: short stacking energy: -43.064
Base-Backbone interact. energy: 0.928
local terms energy: -63.487949
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -15.031
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: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -315.079519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.079519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.079519 (E_RNA)
where:
Base-Base interactions energy: -225.383
where: short stacking energy: -93.111
Base-Backbone interact. energy: -0.194
local terms energy: -89.503208
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -25.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -309.467464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.467464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.467464 (E_RNA)
where:
Base-Base interactions energy: -221.223
where: short stacking energy: -97.807
Base-Backbone interact. energy: -0.003
local terms energy: -88.241308
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -25.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -265.380094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.380094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.380094 (E_RNA)
where:
Base-Base interactions energy: -185.091
where: short stacking energy: -79.228
Base-Backbone interact. energy: 0.469
local terms energy: -80.757464
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -271.719654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.719654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.719654 (E_RNA)
where:
Base-Base interactions energy: -190.027
where: short stacking energy: -95.965
Base-Backbone interact. energy: -0.147
local terms energy: -81.545673
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -13.351
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: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -264.577333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.577333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.577333 (E_RNA)
where:
Base-Base interactions energy: -189.588
where: short stacking energy: -89.125
Base-Backbone interact. energy: 0.032
local terms energy: -75.021662
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -6.838
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: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -226.242141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.242141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.242141 (E_RNA)
where:
Base-Base interactions energy: -153.463
where: short stacking energy: -72.033
Base-Backbone interact. energy: -0.558
local terms energy: -72.221109
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -14.508
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: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -237.667326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.667326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.667326 (E_RNA)
where:
Base-Base interactions energy: -169.417
where: short stacking energy: -78.542
Base-Backbone interact. energy: 0.153
local terms energy: -68.403471
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -228.894016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.894016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.894016 (E_RNA)
where:
Base-Base interactions energy: -153.477
where: short stacking energy: -72.872
Base-Backbone interact. energy: -0.270
local terms energy: -75.146407
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -151.198302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.198302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.198302 (E_RNA)
where:
Base-Base interactions energy: -100.060
where: short stacking energy: -46.264
Base-Backbone interact. energy: -0.241
local terms energy: -50.897618
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -5.603
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: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -187.096148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.096148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.096148 (E_RNA)
where:
Base-Base interactions energy: -116.584
where: short stacking energy: -57.958
Base-Backbone interact. energy: -0.363
local terms energy: -70.148803
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -316.087743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.087743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.087743 (E_RNA)
where:
Base-Base interactions energy: -222.152
where: short stacking energy: -98.283
Base-Backbone interact. energy: -0.223
local terms energy: -93.712413
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -26.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -315.943780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.943780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.943780 (E_RNA)
where:
Base-Base interactions energy: -229.394
where: short stacking energy: -99.558
Base-Backbone interact. energy: -0.217
local terms energy: -86.333055
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -24.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -278.642366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.642366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.642366 (E_RNA)
where:
Base-Base interactions energy: -201.889
where: short stacking energy: -85.887
Base-Backbone interact. energy: -0.152
local terms energy: -76.602085
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -252.507125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.507125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.507125 (E_RNA)
where:
Base-Base interactions energy: -166.927
where: short stacking energy: -69.045
Base-Backbone interact. energy: -0.377
local terms energy: -85.202792
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -17.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -255.526524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.526524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.526524 (E_RNA)
where:
Base-Base interactions energy: -175.037
where: short stacking energy: -88.537
Base-Backbone interact. energy: -2.046
local terms energy: -78.443862
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -22.590
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: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -252.167002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.167002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.167002 (E_RNA)
where:
Base-Base interactions energy: -175.844
where: short stacking energy: -74.349
Base-Backbone interact. energy: -0.186
local terms energy: -76.137820
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -252.590001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.590001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.590001 (E_RNA)
where:
Base-Base interactions energy: -168.865
where: short stacking energy: -88.392
Base-Backbone interact. energy: -0.674
local terms energy: -83.051556
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -22.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -229.890965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.890965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.890965 (E_RNA)
where:
Base-Base interactions energy: -160.246
where: short stacking energy: -77.612
Base-Backbone interact. energy: -0.098
local terms energy: -69.547415
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -9.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -127.747632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.747632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.747632 (E_RNA)
where:
Base-Base interactions energy: -70.682
where: short stacking energy: -28.986
Base-Backbone interact. energy: -0.401
local terms energy: -56.664376
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -162.106730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.106730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.106730 (E_RNA)
where:
Base-Base interactions energy: -104.195
where: short stacking energy: -60.812
Base-Backbone interact. energy: -0.002
local terms energy: -57.909478
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -325.170104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.170104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.170104 (E_RNA)
where:
Base-Base interactions energy: -238.927
where: short stacking energy: -103.570
Base-Backbone interact. energy: -0.009
local terms energy: -86.233391
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -27.275
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: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -321.006837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.006837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.006837 (E_RNA)
where:
Base-Base interactions energy: -232.143
where: short stacking energy: -103.990
Base-Backbone interact. energy: -0.004
local terms energy: -88.859822
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -25.758
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: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -279.080727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.080727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.080727 (E_RNA)
where:
Base-Base interactions energy: -200.435
where: short stacking energy: -84.090
Base-Backbone interact. energy: -0.625
local terms energy: -78.020863
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -19.495
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: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -263.686006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.686006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.686006 (E_RNA)
where:
Base-Base interactions energy: -178.496
where: short stacking energy: -80.761
Base-Backbone interact. energy: -2.019
local terms energy: -83.171442
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -237.396296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.396296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.396296 (E_RNA)
where:
Base-Base interactions energy: -167.093
where: short stacking energy: -81.779
Base-Backbone interact. energy: -0.040
local terms energy: -70.263717
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -14.646
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: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -245.892318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.892318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.892318 (E_RNA)
where:
Base-Base interactions energy: -168.625
where: short stacking energy: -83.693
Base-Backbone interact. energy: -0.037
local terms energy: -77.230521
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -18.076
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: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -240.105086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.105086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.105086 (E_RNA)
where:
Base-Base interactions energy: -166.299
where: short stacking energy: -68.704
Base-Backbone interact. energy: -0.001
local terms energy: -73.804437
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -9.096
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: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -231.086170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.086170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.086170 (E_RNA)
where:
Base-Base interactions energy: -156.470
where: short stacking energy: -78.053
Base-Backbone interact. energy: -0.105
local terms energy: -74.510727
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -118.478175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.478175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.478175 (E_RNA)
where:
Base-Base interactions energy: -56.522
where: short stacking energy: -49.930
Base-Backbone interact. energy: -0.356
local terms energy: -61.600640
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -7.687
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -8.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -156.559792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.559792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.559792 (E_RNA)
where:
Base-Base interactions energy: -90.735
where: short stacking energy: -49.440
Base-Backbone interact. energy: -0.082
local terms energy: -65.742503
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -319.866593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.866593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.866593 (E_RNA)
where:
Base-Base interactions energy: -233.582
where: short stacking energy: -99.137
Base-Backbone interact. energy: -0.124
local terms energy: -86.160846
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -25.842
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: 56
Temperature: 0.950000
Total energy: -311.443479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.443479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.443479 (E_RNA)
where:
Base-Base interactions energy: -224.315
where: short stacking energy: -94.945
Base-Backbone interact. energy: -0.005
local terms energy: -87.123338
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -25.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -274.635128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.635128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.635128 (E_RNA)
where:
Base-Base interactions energy: -200.681
where: short stacking energy: -85.360
Base-Backbone interact. energy: -0.138
local terms energy: -73.815395
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -1.435
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: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -262.044931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.044931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.044931 (E_RNA)
where:
Base-Base interactions energy: -187.215
where: short stacking energy: -82.620
Base-Backbone interact. energy: -0.548
local terms energy: -74.281438
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -18.447
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: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -249.024693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.024693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.024693 (E_RNA)
where:
Base-Base interactions energy: -168.088
where: short stacking energy: -85.256
Base-Backbone interact. energy: -1.164
local terms energy: -79.773188
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -237.600398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.600398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.600398 (E_RNA)
where:
Base-Base interactions energy: -151.748
where: short stacking energy: -90.226
Base-Backbone interact. energy: -0.003
local terms energy: -85.849632
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -22.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -230.867519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.867519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.867519 (E_RNA)
where:
Base-Base interactions energy: -157.662
where: short stacking energy: -77.022
Base-Backbone interact. energy: -0.591
local terms energy: -72.614837
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -14.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -232.659241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.659241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.659241 (E_RNA)
where:
Base-Base interactions energy: -167.622
where: short stacking energy: -65.658
Base-Backbone interact. energy: 0.800
local terms energy: -65.838001
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -13.976
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: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -129.479673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.479673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.479673 (E_RNA)
where:
Base-Base interactions energy: -79.143
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.513
local terms energy: -49.823774
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -6.335
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: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -98.052515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.052515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.052515 (E_RNA)
where:
Base-Base interactions energy: -42.121
where: short stacking energy: -32.018
Base-Backbone interact. energy: -0.070
local terms energy: -55.861815
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -6.818
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: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -312.637972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.637972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.637972 (E_RNA)
where:
Base-Base interactions energy: -227.566
where: short stacking energy: -88.918
Base-Backbone interact. energy: -0.010
local terms energy: -85.062136
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -22.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -304.391023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.391023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.391023 (E_RNA)
where:
Base-Base interactions energy: -223.702
where: short stacking energy: -100.821
Base-Backbone interact. energy: 2.635
local terms energy: -83.323277
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -25.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -265.143367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.143367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.143367 (E_RNA)
where:
Base-Base interactions energy: -190.521
where: short stacking energy: -87.987
Base-Backbone interact. energy: -0.754
local terms energy: -73.868585
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -255.083530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.083530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.083530 (E_RNA)
where:
Base-Base interactions energy: -171.411
where: short stacking energy: -90.860
Base-Backbone interact. energy: -0.141
local terms energy: -83.532420
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -21.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -271.789308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.789308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.789308 (E_RNA)
where:
Base-Base interactions energy: -191.537
where: short stacking energy: -80.768
Base-Backbone interact. energy: -0.113
local terms energy: -80.139664
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -19.430
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: 57
Temperature: 1.150000
Total energy: -245.889177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.889177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.889177 (E_RNA)
where:
Base-Base interactions energy: -179.326
where: short stacking energy: -78.689
Base-Backbone interact. energy: -0.403
local terms energy: -66.160250
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -205.646135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.646135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.646135 (E_RNA)
where:
Base-Base interactions energy: -133.093
where: short stacking energy: -66.000
Base-Backbone interact. energy: -0.102
local terms energy: -72.451516
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -16.416
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: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -231.287107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.287107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.287107 (E_RNA)
where:
Base-Base interactions energy: -161.649
where: short stacking energy: -68.996
Base-Backbone interact. energy: 1.303
local terms energy: -70.940819
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -9.374
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: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -125.292457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.292457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.292457 (E_RNA)
where:
Base-Base interactions energy: -57.665
where: short stacking energy: -51.443
Base-Backbone interact. energy: -0.159
local terms energy: -67.468342
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -13.161
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: 57
Temperature: 1.350000
Total energy: -97.068467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.068467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.068467 (E_RNA)
where:
Base-Base interactions energy: -42.962
where: short stacking energy: -38.091
Base-Backbone interact. energy: -0.090
local terms energy: -54.016453
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -1.640
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: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -310.141229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.141229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.141229 (E_RNA)
where:
Base-Base interactions energy: -214.370
where: short stacking energy: -97.829
Base-Backbone interact. energy: -0.001
local terms energy: -95.770496
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -310.758071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.758071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.758071 (E_RNA)
where:
Base-Base interactions energy: -220.500
where: short stacking energy: -97.211
Base-Backbone interact. energy: -0.097
local terms energy: -90.161842
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -24.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -271.948744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.948744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.948744 (E_RNA)
where:
Base-Base interactions energy: -195.153
where: short stacking energy: -86.535
Base-Backbone interact. energy: 0.917
local terms energy: -77.712956
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -256.259599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.259599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.259599 (E_RNA)
where:
Base-Base interactions energy: -168.709
where: short stacking energy: -84.249
Base-Backbone interact. energy: -2.817
local terms energy: -84.733628
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -250.045122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.045122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.045122 (E_RNA)
where:
Base-Base interactions energy: -168.997
where: short stacking energy: -81.130
Base-Backbone interact. energy: -0.069
local terms energy: -80.979269
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -255.016080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.016080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.016080 (E_RNA)
where:
Base-Base interactions energy: -184.542
where: short stacking energy: -79.287
Base-Backbone interact. energy: -0.954
local terms energy: -69.519434
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -18.207
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: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -247.922141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.922141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.922141 (E_RNA)
where:
Base-Base interactions energy: -173.055
where: short stacking energy: -84.064
Base-Backbone interact. energy: -0.011
local terms energy: -74.856752
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -18.313
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: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -209.487979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.487979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.487979 (E_RNA)
where:
Base-Base interactions energy: -138.292
where: short stacking energy: -79.419
Base-Backbone interact. energy: 0.106
local terms energy: -71.302475
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -17.701
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: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -133.953343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.953343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.953343 (E_RNA)
where:
Base-Base interactions energy: -81.204
where: short stacking energy: -49.643
Base-Backbone interact. energy: 1.020
local terms energy: -53.769489
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -8.626
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -110.081246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.081246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.081246 (E_RNA)
where:
Base-Base interactions energy: -39.428
where: short stacking energy: -40.128
Base-Backbone interact. energy: -0.284
local terms energy: -70.369145
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -9.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -317.322411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.322411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.322411 (E_RNA)
where:
Base-Base interactions energy: -228.705
where: short stacking energy: -97.441
Base-Backbone interact. energy: 0.247
local terms energy: -88.863949
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -25.851
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: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -277.289997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.289997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.289997 (E_RNA)
where:
Base-Base interactions energy: -205.098
where: short stacking energy: -89.935
Base-Backbone interact. energy: -0.167
local terms energy: -72.025621
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -18.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -300.301328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.301328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.301328 (E_RNA)
where:
Base-Base interactions energy: -214.806
where: short stacking energy: -96.517
Base-Backbone interact. energy: -0.002
local terms energy: -85.493192
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -25.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -260.190743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.190743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.190743 (E_RNA)
where:
Base-Base interactions energy: -179.346
where: short stacking energy: -80.295
Base-Backbone interact. energy: -1.071
local terms energy: -79.774502
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -258.455207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.455207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.455207 (E_RNA)
where:
Base-Base interactions energy: -180.241
where: short stacking energy: -77.605
Base-Backbone interact. energy: -1.028
local terms energy: -77.185941
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -11.949
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: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -259.289607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.289607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.289607 (E_RNA)
where:
Base-Base interactions energy: -191.776
where: short stacking energy: -82.516
Base-Backbone interact. energy: -0.555
local terms energy: -66.958101
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -19.034
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: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -245.024962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.024962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.024962 (E_RNA)
where:
Base-Base interactions energy: -177.276
where: short stacking energy: -78.936
Base-Backbone interact. energy: -0.649
local terms energy: -67.100095
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -10.535
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: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -238.191161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.191161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.191161 (E_RNA)
where:
Base-Base interactions energy: -171.659
where: short stacking energy: -76.209
Base-Backbone interact. energy: -0.157
local terms energy: -66.375509
where:
bonds (distance) C4'-P energy: -7.953
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -217.735627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.735627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.735627 (E_RNA)
where:
Base-Base interactions energy: -151.996
where: short stacking energy: -79.593
Base-Backbone interact. energy: -0.013
local terms energy: -65.726489
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -2.056
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -96.882660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.882660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.882660 (E_RNA)
where:
Base-Base interactions energy: -39.345
where: short stacking energy: -36.007
Base-Backbone interact. energy: -0.225
local terms energy: -57.312192
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -6.400
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: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -317.023656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.023656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.023656 (E_RNA)
where:
Base-Base interactions energy: -229.661
where: short stacking energy: -103.137
Base-Backbone interact. energy: -0.739
local terms energy: -86.623860
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -25.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -269.383751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.383751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.383751 (E_RNA)
where:
Base-Base interactions energy: -193.032
where: short stacking energy: -81.933
Base-Backbone interact. energy: -0.143
local terms energy: -76.209051
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -12.625
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: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -308.532398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.532398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.532398 (E_RNA)
where:
Base-Base interactions energy: -225.723
where: short stacking energy: -100.164
Base-Backbone interact. energy: -0.031
local terms energy: -82.778734
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -23.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -266.088081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.088081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.088081 (E_RNA)
where:
Base-Base interactions energy: -184.286
where: short stacking energy: -91.968
Base-Backbone interact. energy: -0.208
local terms energy: -81.593883
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -249.825957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.825957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.825957 (E_RNA)
where:
Base-Base interactions energy: -172.954
where: short stacking energy: -75.397
Base-Backbone interact. energy: -0.579
local terms energy: -76.292871
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -17.656
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: 6, replica: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -255.142268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.142268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.142268 (E_RNA)
where:
Base-Base interactions energy: -179.136
where: short stacking energy: -90.666
Base-Backbone interact. energy: -1.645
local terms energy: -74.361117
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -22.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -235.686893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.686893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.686893 (E_RNA)
where:
Base-Base interactions energy: -156.897
where: short stacking energy: -66.156
Base-Backbone interact. energy: -1.967
local terms energy: -76.822691
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -236.770373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.770373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.770373 (E_RNA)
where:
Base-Base interactions energy: -169.369
where: short stacking energy: -63.409
Base-Backbone interact. energy: 1.265
local terms energy: -68.666609
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -211.547722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.547722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.547722 (E_RNA)
where:
Base-Base interactions energy: -143.996
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.115
local terms energy: -67.436919
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -11.228
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: 60
Temperature: 1.350000
Total energy: -105.313208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.313208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.313208 (E_RNA)
where:
Base-Base interactions energy: -45.215
where: short stacking energy: -42.934
Base-Backbone interact. energy: -0.180
local terms energy: -59.918422
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -318.915785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.915785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.915785 (E_RNA)
where:
Base-Base interactions energy: -231.721
where: short stacking energy: -100.330
Base-Backbone interact. energy: -0.011
local terms energy: -87.183069
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -26.250
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: 61
Temperature: 0.950000
Total energy: -311.929133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.929133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.929133 (E_RNA)
where:
Base-Base interactions energy: -224.536
where: short stacking energy: -94.286
Base-Backbone interact. energy: -0.164
local terms energy: -87.229663
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -27.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -272.137066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.137066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.137066 (E_RNA)
where:
Base-Base interactions energy: -185.804
where: short stacking energy: -89.827
Base-Backbone interact. energy: -1.759
local terms energy: -84.573966
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -262.512034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.512034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.512034 (E_RNA)
where:
Base-Base interactions energy: -182.794
where: short stacking energy: -82.779
Base-Backbone interact. energy: -0.127
local terms energy: -79.590583
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -261.180597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.180597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.180597 (E_RNA)
where:
Base-Base interactions energy: -179.153
where: short stacking energy: -83.532
Base-Backbone interact. energy: -0.155
local terms energy: -81.872212
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -23.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -254.657384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.657384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.657384 (E_RNA)
where:
Base-Base interactions energy: -174.023
where: short stacking energy: -90.570
Base-Backbone interact. energy: -0.267
local terms energy: -80.367857
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -21.619
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: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -262.974140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.974140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.974140 (E_RNA)
where:
Base-Base interactions energy: -177.808
where: short stacking energy: -96.136
Base-Backbone interact. energy: -0.013
local terms energy: -85.153762
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -22.263
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: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -216.222917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.222917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.222917 (E_RNA)
where:
Base-Base interactions energy: -146.290
where: short stacking energy: -71.558
Base-Backbone interact. energy: -1.072
local terms energy: -68.859972
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -231.747700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.747700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.747700 (E_RNA)
where:
Base-Base interactions energy: -164.776
where: short stacking energy: -68.157
Base-Backbone interact. energy: -0.001
local terms energy: -66.970220
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -13.865
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: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -116.377222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.377222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.377222 (E_RNA)
where:
Base-Base interactions energy: -55.495
where: short stacking energy: -45.545
Base-Backbone interact. energy: -0.010
local terms energy: -60.872161
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -12.377
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: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -314.696544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.696544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.696544 (E_RNA)
where:
Base-Base interactions energy: -222.697
where: short stacking energy: -99.905
Base-Backbone interact. energy: -0.002
local terms energy: -91.996924
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -26.928
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: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -305.840900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.840900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.840900 (E_RNA)
where:
Base-Base interactions energy: -216.998
where: short stacking energy: -95.898
Base-Backbone interact. energy: -0.001
local terms energy: -88.841617
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -27.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -280.870958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.870958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.870958 (E_RNA)
where:
Base-Base interactions energy: -200.438
where: short stacking energy: -91.127
Base-Backbone interact. energy: -0.347
local terms energy: -80.086279
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -19.608
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: 4, replica: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -263.908170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.908170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.908170 (E_RNA)
where:
Base-Base interactions energy: -189.265
where: short stacking energy: -76.041
Base-Backbone interact. energy: -1.450
local terms energy: -73.193192
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -8.966
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: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -256.286503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.286503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.286503 (E_RNA)
where:
Base-Base interactions energy: -177.946
where: short stacking energy: -84.693
Base-Backbone interact. energy: -0.731
local terms energy: -77.608992
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -263.067875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.067875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.067875 (E_RNA)
where:
Base-Base interactions energy: -183.790
where: short stacking energy: -77.059
Base-Backbone interact. energy: -0.011
local terms energy: -79.267063
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -19.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -241.330992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.330992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.330992 (E_RNA)
where:
Base-Base interactions energy: -160.196
where: short stacking energy: -82.545
Base-Backbone interact. energy: -0.002
local terms energy: -81.132702
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -18.266
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: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -245.950394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.950394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.950394 (E_RNA)
where:
Base-Base interactions energy: -167.124
where: short stacking energy: -81.578
Base-Backbone interact. energy: -0.143
local terms energy: -78.683729
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -226.861736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.861736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.861736 (E_RNA)
where:
Base-Base interactions energy: -162.402
where: short stacking energy: -68.716
Base-Backbone interact. energy: -0.023
local terms energy: -64.436669
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -5.497
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: 10, replica: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -118.022078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.022078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.022078 (E_RNA)
where:
Base-Base interactions energy: -71.910
where: short stacking energy: -48.648
Base-Backbone interact. energy: 2.316
local terms energy: -48.427872
where:
bonds (distance) C4'-P energy: -8.477
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -316.380147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.380147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.380147 (E_RNA)
where:
Base-Base interactions energy: -224.565
where: short stacking energy: -99.135
Base-Backbone interact. energy: -0.587
local terms energy: -91.228692
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -24.885
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: 2, replica: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -280.703661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.703661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.703661 (E_RNA)
where:
Base-Base interactions energy: -197.585
where: short stacking energy: -92.882
Base-Backbone interact. energy: -0.009
local terms energy: -83.110543
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -19.659
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: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -292.888576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.888576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.888576 (E_RNA)
where:
Base-Base interactions energy: -208.974
where: short stacking energy: -105.330
Base-Backbone interact. energy: -0.018
local terms energy: -83.896241
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -22.651
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: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -263.203347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.203347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.203347 (E_RNA)
where:
Base-Base interactions energy: -190.086
where: short stacking energy: -81.736
Base-Backbone interact. energy: -1.235
local terms energy: -71.882595
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -16.804
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: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -257.724514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.724514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.724514 (E_RNA)
where:
Base-Base interactions energy: -177.858
where: short stacking energy: -88.074
Base-Backbone interact. energy: -0.931
local terms energy: -78.935801
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -20.474
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: 63
Temperature: 1.150000
Total energy: -252.123371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.123371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.123371 (E_RNA)
where:
Base-Base interactions energy: -180.367
where: short stacking energy: -65.138
Base-Backbone interact. energy: -0.235
local terms energy: -71.520897
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -249.352582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.352582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.352582 (E_RNA)
where:
Base-Base interactions energy: -171.518
where: short stacking energy: -87.591
Base-Backbone interact. energy: -0.002
local terms energy: -77.832718
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -22.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -235.593591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.593591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.593591 (E_RNA)
where:
Base-Base interactions energy: -165.356
where: short stacking energy: -69.724
Base-Backbone interact. energy: -0.246
local terms energy: -69.991832
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -17.944
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: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -201.444377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.444377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.444377 (E_RNA)
where:
Base-Base interactions energy: -136.973
where: short stacking energy: -62.251
Base-Backbone interact. energy: -0.338
local terms energy: -64.133778
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -141.001534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.001534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.001534 (E_RNA)
where:
Base-Base interactions energy: -91.513
where: short stacking energy: -40.574
Base-Backbone interact. energy: -0.167
local terms energy: -49.322241
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -2.783
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -322.990509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.990509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.990509 (E_RNA)
where:
Base-Base interactions energy: -237.056
where: short stacking energy: -104.010
Base-Backbone interact. energy: -0.016
local terms energy: -85.919216
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -26.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -289.130602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.130602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.130602 (E_RNA)
where:
Base-Base interactions energy: -214.732
where: short stacking energy: -89.572
Base-Backbone interact. energy: 0.849
local terms energy: -75.248152
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -263.930093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.930093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.930093 (E_RNA)
where:
Base-Base interactions energy: -180.535
where: short stacking energy: -80.587
Base-Backbone interact. energy: 0.896
local terms energy: -84.291021
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -286.163527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.163527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.163527 (E_RNA)
where:
Base-Base interactions energy: -201.540
where: short stacking energy: -91.173
Base-Backbone interact. energy: -0.122
local terms energy: -84.500886
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -263.078787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.078787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.078787 (E_RNA)
where:
Base-Base interactions energy: -176.653
where: short stacking energy: -91.697
Base-Backbone interact. energy: -0.823
local terms energy: -85.602683
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -23.101
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: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -273.027545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.027545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.027545 (E_RNA)
where:
Base-Base interactions energy: -195.993
where: short stacking energy: -81.254
Base-Backbone interact. energy: -0.031
local terms energy: -77.003743
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -247.361704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.361704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.361704 (E_RNA)
where:
Base-Base interactions energy: -175.761
where: short stacking energy: -72.181
Base-Backbone interact. energy: -0.027
local terms energy: -71.573884
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -227.069918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.069918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.069918 (E_RNA)
where:
Base-Base interactions energy: -155.512
where: short stacking energy: -70.937
Base-Backbone interact. energy: -0.000
local terms energy: -71.557494
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -11.133
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: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -209.482344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.482344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.482344 (E_RNA)
where:
Base-Base interactions energy: -145.927
where: short stacking energy: -72.948
Base-Backbone interact. energy: -0.226
local terms energy: -63.329650
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -11.378
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: 10, replica: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -103.812529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.812529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.812529 (E_RNA)
where:
Base-Base interactions energy: -51.717
where: short stacking energy: -36.129
Base-Backbone interact. energy: -1.134
local terms energy: -50.961537
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: 1.267
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: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -323.241625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.241625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.241625 (E_RNA)
where:
Base-Base interactions energy: -230.006
where: short stacking energy: -99.894
Base-Backbone interact. energy: -0.007
local terms energy: -93.228546
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -26.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -268.628833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.628833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.628833 (E_RNA)
where:
Base-Base interactions energy: -192.953
where: short stacking energy: -71.463
Base-Backbone interact. energy: -0.281
local terms energy: -75.394804
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -20.023
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: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -260.202314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.202314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.202314 (E_RNA)
where:
Base-Base interactions energy: -180.041
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.389
local terms energy: -79.771631
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -11.365
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: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -266.020283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.020283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.020283 (E_RNA)
where:
Base-Base interactions energy: -179.438
where: short stacking energy: -92.389
Base-Backbone interact. energy: -1.044
local terms energy: -85.538231
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -291.327293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.327293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.327293 (E_RNA)
where:
Base-Base interactions energy: -206.228
where: short stacking energy: -93.094
Base-Backbone interact. energy: -0.121
local terms energy: -84.977858
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -24.422
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: 65
Temperature: 1.150000
Total energy: -248.930099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.930099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.930099 (E_RNA)
where:
Base-Base interactions energy: -176.138
where: short stacking energy: -72.665
Base-Backbone interact. energy: -0.372
local terms energy: -72.420112
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -279.120216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.120216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.120216 (E_RNA)
where:
Base-Base interactions energy: -202.165
where: short stacking energy: -86.378
Base-Backbone interact. energy: -0.016
local terms energy: -76.939077
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -235.734583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.734583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.734583 (E_RNA)
where:
Base-Base interactions energy: -157.671
where: short stacking energy: -68.221
Base-Backbone interact. energy: -0.265
local terms energy: -77.798318
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -12.190
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: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -245.978256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.978256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.978256 (E_RNA)
where:
Base-Base interactions energy: -169.401
where: short stacking energy: -87.765
Base-Backbone interact. energy: -0.170
local terms energy: -76.407417
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -113.616400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.616400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.616400 (E_RNA)
where:
Base-Base interactions energy: -59.834
where: short stacking energy: -31.738
Base-Backbone interact. energy: -0.204
local terms energy: -53.577662
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -3.222
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: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -334.498503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.498503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.498503 (E_RNA)
where:
Base-Base interactions energy: -249.600
where: short stacking energy: -114.095
Base-Backbone interact. energy: -0.001
local terms energy: -84.897589
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -279.166007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.166007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.166007 (E_RNA)
where:
Base-Base interactions energy: -193.782
where: short stacking energy: -85.758
Base-Backbone interact. energy: -0.074
local terms energy: -85.310003
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -270.091438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.091438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.091438 (E_RNA)
where:
Base-Base interactions energy: -184.216
where: short stacking energy: -100.582
Base-Backbone interact. energy: -0.747
local terms energy: -85.127655
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -266.177570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.177570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.177570 (E_RNA)
where:
Base-Base interactions energy: -189.428
where: short stacking energy: -88.454
Base-Backbone interact. energy: -0.201
local terms energy: -76.548722
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -259.443392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.443392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.443392 (E_RNA)
where:
Base-Base interactions energy: -181.056
where: short stacking energy: -78.278
Base-Backbone interact. energy: 1.671
local terms energy: -80.058371
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -11.257
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: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -298.851125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.851125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.851125 (E_RNA)
where:
Base-Base interactions energy: -219.044
where: short stacking energy: -93.445
Base-Backbone interact. energy: -0.059
local terms energy: -79.748452
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -227.041095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.041095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.041095 (E_RNA)
where:
Base-Base interactions energy: -161.780
where: short stacking energy: -74.883
Base-Backbone interact. energy: -0.232
local terms energy: -65.028650
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -9.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -223.951048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.951048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.951048 (E_RNA)
where:
Base-Base interactions energy: -153.921
where: short stacking energy: -59.116
Base-Backbone interact. energy: 2.673
local terms energy: -72.703226
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -10.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -116.282876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.282876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.282876 (E_RNA)
where:
Base-Base interactions energy: -69.329
where: short stacking energy: -52.488
Base-Backbone interact. energy: -0.707
local terms energy: -46.247343
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -2.265
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -215.383910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.383910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.383910 (E_RNA)
where:
Base-Base interactions energy: -148.856
where: short stacking energy: -66.479
Base-Backbone interact. energy: -0.883
local terms energy: -65.645361
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -6.274
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: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -327.151787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.151787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.151787 (E_RNA)
where:
Base-Base interactions energy: -247.122
where: short stacking energy: -112.264
Base-Backbone interact. energy: -0.157
local terms energy: -79.873304
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -23.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -283.259125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.259125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.259125 (E_RNA)
where:
Base-Base interactions energy: -203.639
where: short stacking energy: -81.415
Base-Backbone interact. energy: -0.005
local terms energy: -79.615225
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -22.628
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: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -273.082247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.082247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.082247 (E_RNA)
where:
Base-Base interactions energy: -178.446
where: short stacking energy: -96.460
Base-Backbone interact. energy: 0.054
local terms energy: -94.690141
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -23.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -259.465995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.465995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.465995 (E_RNA)
where:
Base-Base interactions energy: -174.309
where: short stacking energy: -72.716
Base-Backbone interact. energy: -1.789
local terms energy: -83.367880
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -263.718889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.718889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.718889 (E_RNA)
where:
Base-Base interactions energy: -186.677
where: short stacking energy: -80.747
Base-Backbone interact. energy: -0.586
local terms energy: -76.455864
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -10.021
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -22.146
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: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -292.505012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.505012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.505012 (E_RNA)
where:
Base-Base interactions energy: -215.193
where: short stacking energy: -82.893
Base-Backbone interact. energy: -0.655
local terms energy: -76.656299
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -229.202338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.202338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.202338 (E_RNA)
where:
Base-Base interactions energy: -153.858
where: short stacking energy: -70.106
Base-Backbone interact. energy: -0.104
local terms energy: -75.240576
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -21.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -250.640354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.640354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.640354 (E_RNA)
where:
Base-Base interactions energy: -177.392
where: short stacking energy: -83.475
Base-Backbone interact. energy: -0.367
local terms energy: -72.881327
where:
bonds (distance) C4'-P energy: -7.748
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -128.362769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.362769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.362769 (E_RNA)
where:
Base-Base interactions energy: -66.380
where: short stacking energy: -39.382
Base-Backbone interact. energy: -0.154
local terms energy: -61.828204
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -10.001
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: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -220.707027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.707027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.707027 (E_RNA)
where:
Base-Base interactions energy: -145.311
where: short stacking energy: -75.374
Base-Backbone interact. energy: -0.268
local terms energy: -75.127674
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -12.091
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: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -327.666354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.666354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.666354 (E_RNA)
where:
Base-Base interactions energy: -239.992
where: short stacking energy: -104.009
Base-Backbone interact. energy: -0.001
local terms energy: -87.673020
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -24.712
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: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -269.368253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.368253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.368253 (E_RNA)
where:
Base-Base interactions energy: -182.614
where: short stacking energy: -88.434
Base-Backbone interact. energy: -0.001
local terms energy: -86.753495
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -274.421513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.421513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.421513 (E_RNA)
where:
Base-Base interactions energy: -182.442
where: short stacking energy: -101.989
Base-Backbone interact. energy: -0.355
local terms energy: -91.624454
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -268.453713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.453713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.453713 (E_RNA)
where:
Base-Base interactions energy: -191.071
where: short stacking energy: -75.519
Base-Backbone interact. energy: 1.121
local terms energy: -78.503418
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -296.206895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.206895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.206895 (E_RNA)
where:
Base-Base interactions energy: -209.660
where: short stacking energy: -93.150
Base-Backbone interact. energy: -0.101
local terms energy: -86.445963
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -22.919
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: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -256.326860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.326860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.326860 (E_RNA)
where:
Base-Base interactions energy: -182.742
where: short stacking energy: -78.253
Base-Backbone interact. energy: -0.221
local terms energy: -73.363703
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -255.702891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.702891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.702891 (E_RNA)
where:
Base-Base interactions energy: -177.284
where: short stacking energy: -86.205
Base-Backbone interact. energy: -0.074
local terms energy: -78.345229
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -19.313
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: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -216.724531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.724531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.724531 (E_RNA)
where:
Base-Base interactions energy: -137.752
where: short stacking energy: -60.837
Base-Backbone interact. energy: -0.007
local terms energy: -78.965389
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -188.808618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.808618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.808618 (E_RNA)
where:
Base-Base interactions energy: -122.987
where: short stacking energy: -59.823
Base-Backbone interact. energy: -0.166
local terms energy: -65.655883
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -112.890296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.890296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.890296 (E_RNA)
where:
Base-Base interactions energy: -63.961
where: short stacking energy: -41.991
Base-Backbone interact. energy: -0.120
local terms energy: -48.809636
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -325.378650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.378650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.378650 (E_RNA)
where:
Base-Base interactions energy: -239.236
where: short stacking energy: -105.369
Base-Backbone interact. energy: -0.009
local terms energy: -86.134251
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -24.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -278.806739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.806739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.806739 (E_RNA)
where:
Base-Base interactions energy: -184.240
where: short stacking energy: -96.461
Base-Backbone interact. energy: -1.927
local terms energy: -92.639322
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -22.689
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: 3, replica: 10
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -266.964041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.964041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.964041 (E_RNA)
where:
Base-Base interactions energy: -191.562
where: short stacking energy: -87.375
Base-Backbone interact. energy: 1.732
local terms energy: -77.134220
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -292.499749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.499749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.499749 (E_RNA)
where:
Base-Base interactions energy: -208.986
where: short stacking energy: -83.434
Base-Backbone interact. energy: -0.105
local terms energy: -83.408346
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -260.028185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.028185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.028185 (E_RNA)
where:
Base-Base interactions energy: -197.909
where: short stacking energy: -72.142
Base-Backbone interact. energy: -0.213
local terms energy: -61.905563
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -3.073
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: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -256.831211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.831211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.831211 (E_RNA)
where:
Base-Base interactions energy: -179.291
where: short stacking energy: -81.098
Base-Backbone interact. energy: -0.301
local terms energy: -77.238862
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -242.866111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.866111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.866111 (E_RNA)
where:
Base-Base interactions energy: -166.869
where: short stacking energy: -81.350
Base-Backbone interact. energy: -0.022
local terms energy: -75.975219
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -217.219921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.219921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.219921 (E_RNA)
where:
Base-Base interactions energy: -153.350
where: short stacking energy: -73.580
Base-Backbone interact. energy: -0.013
local terms energy: -63.856362
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -8.466
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: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -183.396891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.396891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.396891 (E_RNA)
where:
Base-Base interactions energy: -118.964
where: short stacking energy: -57.610
Base-Backbone interact. energy: -0.273
local terms energy: -64.159909
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -111.451486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.451486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.451486 (E_RNA)
where:
Base-Base interactions energy: -48.994
where: short stacking energy: -44.853
Base-Backbone interact. energy: -0.035
local terms energy: -62.422825
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -12.675
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: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -330.587317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.587317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.587317 (E_RNA)
where:
Base-Base interactions energy: -243.426
where: short stacking energy: -104.511
Base-Backbone interact. energy: -0.003
local terms energy: -87.157811
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -22.502
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: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -273.617514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.617514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.617514 (E_RNA)
where:
Base-Base interactions energy: -183.758
where: short stacking energy: -97.907
Base-Backbone interact. energy: -0.349
local terms energy: -89.510657
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -22.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -301.998616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.998616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.998616 (E_RNA)
where:
Base-Base interactions energy: -209.603
where: short stacking energy: -99.070
Base-Backbone interact. energy: -0.413
local terms energy: -91.982052
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -24.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -261.724516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.724516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.724516 (E_RNA)
where:
Base-Base interactions energy: -191.121
where: short stacking energy: -82.195
Base-Backbone interact. energy: -0.005
local terms energy: -70.597748
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -245.144064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.144064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.144064 (E_RNA)
where:
Base-Base interactions energy: -173.793
where: short stacking energy: -73.560
Base-Backbone interact. energy: -0.044
local terms energy: -71.306785
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -263.577394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.577394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.577394 (E_RNA)
where:
Base-Base interactions energy: -186.865
where: short stacking energy: -78.754
Base-Backbone interact. energy: -0.773
local terms energy: -75.939605
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -22.744
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: 70
Temperature: 1.200000
Total energy: -242.413051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.413051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.413051 (E_RNA)
where:
Base-Base interactions energy: -166.247
where: short stacking energy: -75.610
Base-Backbone interact. energy: -0.098
local terms energy: -76.067737
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -19.076
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: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -215.865188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.865188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.865188 (E_RNA)
where:
Base-Base interactions energy: -154.037
where: short stacking energy: -73.266
Base-Backbone interact. energy: -0.040
local terms energy: -61.788348
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -182.950700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.950700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.950700 (E_RNA)
where:
Base-Base interactions energy: -127.079
where: short stacking energy: -60.985
Base-Backbone interact. energy: 1.017
local terms energy: -56.888162
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -101.591443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.591443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.591443 (E_RNA)
where:
Base-Base interactions energy: -44.880
where: short stacking energy: -36.420
Base-Backbone interact. energy: -0.187
local terms energy: -56.524252
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -12.202
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: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -316.114521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.114521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.114521 (E_RNA)
where:
Base-Base interactions energy: -239.304
where: short stacking energy: -95.316
Base-Backbone interact. energy: -0.095
local terms energy: -76.716148
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -1.695
tors. eta vs tors. theta energy: -24.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -316.748588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.748588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.748588 (E_RNA)
where:
Base-Base interactions energy: -227.729
where: short stacking energy: -101.844
Base-Backbone interact. energy: -0.471
local terms energy: -88.548610
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -23.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -274.734869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.734869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.734869 (E_RNA)
where:
Base-Base interactions energy: -192.607
where: short stacking energy: -95.746
Base-Backbone interact. energy: -0.057
local terms energy: -82.070815
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -24.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -276.931819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.931819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.931819 (E_RNA)
where:
Base-Base interactions energy: -193.418
where: short stacking energy: -94.570
Base-Backbone interact. energy: -0.049
local terms energy: -83.465322
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -21.934
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: 5, replica: 10
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -255.562740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.562740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.562740 (E_RNA)
where:
Base-Base interactions energy: -172.355
where: short stacking energy: -87.611
Base-Backbone interact. energy: -0.002
local terms energy: -83.205696
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -255.545354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.545354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.545354 (E_RNA)
where:
Base-Base interactions energy: -170.069
where: short stacking energy: -76.644
Base-Backbone interact. energy: -0.897
local terms energy: -84.579743
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -11.294
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: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -254.709050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.709050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.709050 (E_RNA)
where:
Base-Base interactions energy: -186.411
where: short stacking energy: -76.537
Base-Backbone interact. energy: -0.048
local terms energy: -68.250380
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -18.532
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: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -220.517731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.517731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.517731 (E_RNA)
where:
Base-Base interactions energy: -146.854
where: short stacking energy: -63.285
Base-Backbone interact. energy: -0.324
local terms energy: -73.339484
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -204.597629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.597629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.597629 (E_RNA)
where:
Base-Base interactions energy: -140.481
where: short stacking energy: -72.758
Base-Backbone interact. energy: 0.190
local terms energy: -64.306361
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -97.203601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.203601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.203601 (E_RNA)
where:
Base-Base interactions energy: -33.949
where: short stacking energy: -33.949
Base-Backbone interact. energy: -0.449
local terms energy: -62.806252
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -315.526066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.526066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.526066 (E_RNA)
where:
Base-Base interactions energy: -220.169
where: short stacking energy: -101.197
Base-Backbone interact. energy: -0.001
local terms energy: -95.356552
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -28.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -315.507902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.507902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.507902 (E_RNA)
where:
Base-Base interactions energy: -233.221
where: short stacking energy: -103.604
Base-Backbone interact. energy: -0.003
local terms energy: -82.284016
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -23.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -276.024345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.024345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.024345 (E_RNA)
where:
Base-Base interactions energy: -191.240
where: short stacking energy: -96.125
Base-Backbone interact. energy: -0.295
local terms energy: -84.489558
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -25.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -257.498955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.498955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.498955 (E_RNA)
where:
Base-Base interactions energy: -171.686
where: short stacking energy: -75.095
Base-Backbone interact. energy: -0.589
local terms energy: -85.223358
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -247.804084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.804084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.804084 (E_RNA)
where:
Base-Base interactions energy: -175.125
where: short stacking energy: -68.821
Base-Backbone interact. energy: -0.638
local terms energy: -72.041045
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -244.868203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.868203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.868203 (E_RNA)
where:
Base-Base interactions energy: -164.565
where: short stacking energy: -68.925
Base-Backbone interact. energy: -0.157
local terms energy: -80.146712
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -239.213673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.213673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.213673 (E_RNA)
where:
Base-Base interactions energy: -167.308
where: short stacking energy: -70.240
Base-Backbone interact. energy: -0.095
local terms energy: -71.810484
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -217.849098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.849098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.849098 (E_RNA)
where:
Base-Base interactions energy: -142.783
where: short stacking energy: -70.483
Base-Backbone interact. energy: -0.633
local terms energy: -74.433380
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -12.010
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: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -181.634494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.634494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.634494 (E_RNA)
where:
Base-Base interactions energy: -115.153
where: short stacking energy: -50.082
Base-Backbone interact. energy: 0.112
local terms energy: -66.593647
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -8.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -93.858323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.858323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.858323 (E_RNA)
where:
Base-Base interactions energy: -36.086
where: short stacking energy: -30.097
Base-Backbone interact. energy: -0.485
local terms energy: -57.287596
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -10.756
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: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -314.987352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.987352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.987352 (E_RNA)
where:
Base-Base interactions energy: -229.907
where: short stacking energy: -107.362
Base-Backbone interact. energy: -0.001
local terms energy: -85.078875
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -24.734
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: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -322.274165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.274165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.274165 (E_RNA)
where:
Base-Base interactions energy: -235.537
where: short stacking energy: -104.871
Base-Backbone interact. energy: -0.252
local terms energy: -86.484718
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -26.204
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: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -275.957015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.957015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.957015 (E_RNA)
where:
Base-Base interactions energy: -180.242
where: short stacking energy: -98.358
Base-Backbone interact. energy: -1.928
local terms energy: -93.786396
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -25.096
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: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -274.159586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.159586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.159586 (E_RNA)
where:
Base-Base interactions energy: -192.181
where: short stacking energy: -79.324
Base-Backbone interact. energy: -1.337
local terms energy: -80.641355
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -250.914602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.914602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.914602 (E_RNA)
where:
Base-Base interactions energy: -183.132
where: short stacking energy: -70.792
Base-Backbone interact. energy: -0.603
local terms energy: -67.179333
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -11.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -245.034876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.034876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.034876 (E_RNA)
where:
Base-Base interactions energy: -180.454
where: short stacking energy: -75.561
Base-Backbone interact. energy: -0.245
local terms energy: -64.335765
where:
bonds (distance) C4'-P energy: -7.827
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -17.077
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: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -246.418659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.418659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.418659 (E_RNA)
where:
Base-Base interactions energy: -173.585
where: short stacking energy: -79.261
Base-Backbone interact. energy: 0.685
local terms energy: -73.518432
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -16.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -194.514438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.514438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.514438 (E_RNA)
where:
Base-Base interactions energy: -126.055
where: short stacking energy: -63.507
Base-Backbone interact. energy: -0.208
local terms energy: -68.251412
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -14.726
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: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -201.220083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.220083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.220083 (E_RNA)
where:
Base-Base interactions energy: -130.267
where: short stacking energy: -60.770
Base-Backbone interact. energy: -2.063
local terms energy: -68.889233
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -122.877443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.877443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.877443 (E_RNA)
where:
Base-Base interactions energy: -53.230
where: short stacking energy: -48.271
Base-Backbone interact. energy: -0.877
local terms energy: -68.770807
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -324.242253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.242253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.242253 (E_RNA)
where:
Base-Base interactions energy: -236.156
where: short stacking energy: -96.342
Base-Backbone interact. energy: 0.309
local terms energy: -88.395005
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -25.513
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: 74
Temperature: 0.950000
Total energy: -307.959086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.959086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.959086 (E_RNA)
where:
Base-Base interactions energy: -220.622
where: short stacking energy: -96.721
Base-Backbone interact. energy: -0.005
local terms energy: -87.331606
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -26.867
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: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -293.474132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.474132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.474132 (E_RNA)
where:
Base-Base interactions energy: -216.242
where: short stacking energy: -92.582
Base-Backbone interact. energy: -0.055
local terms energy: -77.177447
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -259.092872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.092872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.092872 (E_RNA)
where:
Base-Base interactions energy: -176.780
where: short stacking energy: -95.229
Base-Backbone interact. energy: 0.118
local terms energy: -82.430171
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -23.100
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: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -250.692975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.692975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.692975 (E_RNA)
where:
Base-Base interactions energy: -175.779
where: short stacking energy: -78.063
Base-Backbone interact. energy: -0.038
local terms energy: -74.876410
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -258.865210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.865210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.865210 (E_RNA)
where:
Base-Base interactions energy: -188.444
where: short stacking energy: -71.191
Base-Backbone interact. energy: -0.285
local terms energy: -70.135692
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -8.075
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: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -235.247226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.247226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.247226 (E_RNA)
where:
Base-Base interactions energy: -159.548
where: short stacking energy: -75.967
Base-Backbone interact. energy: -0.268
local terms energy: -75.430462
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -181.909914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.909914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.909914 (E_RNA)
where:
Base-Base interactions energy: -124.239
where: short stacking energy: -59.640
Base-Backbone interact. energy: -0.255
local terms energy: -57.416024
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -195.649230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.649230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.649230 (E_RNA)
where:
Base-Base interactions energy: -119.660
where: short stacking energy: -57.906
Base-Backbone interact. energy: -1.049
local terms energy: -74.939851
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -12.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -97.065080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.065080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.065080 (E_RNA)
where:
Base-Base interactions energy: -40.875
where: short stacking energy: -40.264
Base-Backbone interact. energy: -0.062
local terms energy: -56.127922
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -323.706341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.706341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.706341 (E_RNA)
where:
Base-Base interactions energy: -234.138
where: short stacking energy: -99.450
Base-Backbone interact. energy: 0.287
local terms energy: -89.855446
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -25.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -307.855560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.855560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.855560 (E_RNA)
where:
Base-Base interactions energy: -220.328
where: short stacking energy: -101.247
Base-Backbone interact. energy: -0.055
local terms energy: -87.472454
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -24.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -298.917418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.917418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.917418 (E_RNA)
where:
Base-Base interactions energy: -210.957
where: short stacking energy: -86.950
Base-Backbone interact. energy: -0.185
local terms energy: -87.775103
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -253.568703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.568703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.568703 (E_RNA)
where:
Base-Base interactions energy: -177.543
where: short stacking energy: -73.452
Base-Backbone interact. energy: -0.158
local terms energy: -75.868230
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -18.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -250.102939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.102939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.102939 (E_RNA)
where:
Base-Base interactions energy: -168.825
where: short stacking energy: -90.871
Base-Backbone interact. energy: 0.135
local terms energy: -81.412756
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -19.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -243.917485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.917485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.917485 (E_RNA)
where:
Base-Base interactions energy: -175.392
where: short stacking energy: -81.675
Base-Backbone interact. energy: 0.180
local terms energy: -68.704714
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -263.118391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.118391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.118391 (E_RNA)
where:
Base-Base interactions energy: -196.581
where: short stacking energy: -72.562
Base-Backbone interact. energy: -0.712
local terms energy: -65.824496
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -205.411513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.411513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.411513 (E_RNA)
where:
Base-Base interactions energy: -131.132
where: short stacking energy: -51.821
Base-Backbone interact. energy: -0.012
local terms energy: -74.267491
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -11.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -200.496745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.496745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.496745 (E_RNA)
where:
Base-Base interactions energy: -135.536
where: short stacking energy: -69.608
Base-Backbone interact. energy: -0.012
local terms energy: -64.949075
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -108.921836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.921836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.921836 (E_RNA)
where:
Base-Base interactions energy: -44.616
where: short stacking energy: -36.899
Base-Backbone interact. energy: 3.665
local terms energy: -67.971391
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -323.708873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.708873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.708873 (E_RNA)
where:
Base-Base interactions energy: -237.912
where: short stacking energy: -111.545
Base-Backbone interact. energy: -0.001
local terms energy: -85.795376
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -25.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -312.283926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.283926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.283926 (E_RNA)
where:
Base-Base interactions energy: -225.284
where: short stacking energy: -94.360
Base-Backbone interact. energy: 0.542
local terms energy: -87.542455
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -26.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -281.354730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.354730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.354730 (E_RNA)
where:
Base-Base interactions energy: -202.811
where: short stacking energy: -87.754
Base-Backbone interact. energy: -0.124
local terms energy: -78.419390
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -19.874
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: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -259.366988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.366988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.366988 (E_RNA)
where:
Base-Base interactions energy: -179.352
where: short stacking energy: -82.901
Base-Backbone interact. energy: -0.032
local terms energy: -79.982787
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -11.901
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: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -251.892557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.892557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.892557 (E_RNA)
where:
Base-Base interactions energy: -172.381
where: short stacking energy: -80.639
Base-Backbone interact. energy: -1.096
local terms energy: -78.416284
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -238.540763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.540763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.540763 (E_RNA)
where:
Base-Base interactions energy: -167.011
where: short stacking energy: -85.782
Base-Backbone interact. energy: 0.254
local terms energy: -71.783360
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -16.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -239.892383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.892383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.892383 (E_RNA)
where:
Base-Base interactions energy: -171.364
where: short stacking energy: -70.690
Base-Backbone interact. energy: -0.209
local terms energy: -68.319683
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -230.496154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.496154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.496154 (E_RNA)
where:
Base-Base interactions energy: -157.409
where: short stacking energy: -82.617
Base-Backbone interact. energy: 0.003
local terms energy: -73.089985
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -19.034
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: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -202.940579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.940579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.940579 (E_RNA)
where:
Base-Base interactions energy: -139.320
where: short stacking energy: -70.705
Base-Backbone interact. energy: -0.187
local terms energy: -63.433813
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -106.496579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.496579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.496579 (E_RNA)
where:
Base-Base interactions energy: -61.635
where: short stacking energy: -41.502
Base-Backbone interact. energy: -0.118
local terms energy: -44.743561
where:
bonds (distance) C4'-P energy: -4.816
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -328.271901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.271901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.271901 (E_RNA)
where:
Base-Base interactions energy: -249.018
where: short stacking energy: -108.615
Base-Backbone interact. energy: 0.340
local terms energy: -79.593941
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -23.620
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: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -307.258878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.258878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.258878 (E_RNA)
where:
Base-Base interactions energy: -227.315
where: short stacking energy: -104.199
Base-Backbone interact. energy: -0.001
local terms energy: -79.942120
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -24.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -287.636347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.636347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.636347 (E_RNA)
where:
Base-Base interactions energy: -207.398
where: short stacking energy: -87.487
Base-Backbone interact. energy: 1.366
local terms energy: -81.604613
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -19.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -254.552316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.552316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.552316 (E_RNA)
where:
Base-Base interactions energy: -182.886
where: short stacking energy: -84.589
Base-Backbone interact. energy: -0.006
local terms energy: -71.661069
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -13.198
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: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -258.090908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.090908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.090908 (E_RNA)
where:
Base-Base interactions energy: -188.206
where: short stacking energy: -73.388
Base-Backbone interact. energy: -0.676
local terms energy: -69.208101
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -17.654
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: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -240.793390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.793390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.793390 (E_RNA)
where:
Base-Base interactions energy: -173.235
where: short stacking energy: -79.901
Base-Backbone interact. energy: -1.191
local terms energy: -66.367130
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -17.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -243.003189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.003189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.003189 (E_RNA)
where:
Base-Base interactions energy: -165.948
where: short stacking energy: -76.196
Base-Backbone interact. energy: 1.825
local terms energy: -78.879442
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -17.657
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: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -199.113461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.113461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.113461 (E_RNA)
where:
Base-Base interactions energy: -138.473
where: short stacking energy: -66.758
Base-Backbone interact. energy: -0.158
local terms energy: -60.482650
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -228.250512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.250512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.250512 (E_RNA)
where:
Base-Base interactions energy: -161.733
where: short stacking energy: -82.577
Base-Backbone interact. energy: -0.087
local terms energy: -66.430087
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -17.326
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: 1
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -103.772170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.772170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.772170 (E_RNA)
where:
Base-Base interactions energy: -53.071
where: short stacking energy: -32.069
Base-Backbone interact. energy: -0.199
local terms energy: -50.502713
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: 0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -319.821105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.821105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.821105 (E_RNA)
where:
Base-Base interactions energy: -238.467
where: short stacking energy: -105.274
Base-Backbone interact. energy: -0.133
local terms energy: -81.220222
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -26.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -306.352110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.352110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.352110 (E_RNA)
where:
Base-Base interactions energy: -211.816
where: short stacking energy: -95.182
Base-Backbone interact. energy: 0.854
local terms energy: -95.389812
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -24.852
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: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -287.972746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.972746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.972746 (E_RNA)
where:
Base-Base interactions energy: -200.570
where: short stacking energy: -94.614
Base-Backbone interact. energy: -0.815
local terms energy: -86.587813
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -11.306
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: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -250.082299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.082299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.082299 (E_RNA)
where:
Base-Base interactions energy: -176.058
where: short stacking energy: -80.544
Base-Backbone interact. energy: -0.002
local terms energy: -74.022290
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -258.268215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.268215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.268215 (E_RNA)
where:
Base-Base interactions energy: -181.650
where: short stacking energy: -78.302
Base-Backbone interact. energy: 0.349
local terms energy: -76.967735
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -10.755
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: 6, replica: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -240.345984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.345984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.345984 (E_RNA)
where:
Base-Base interactions energy: -165.325
where: short stacking energy: -74.425
Base-Backbone interact. energy: -1.108
local terms energy: -73.913150
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -242.570506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.570506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.570506 (E_RNA)
where:
Base-Base interactions energy: -168.575
where: short stacking energy: -70.030
Base-Backbone interact. energy: -1.661
local terms energy: -72.333706
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -18.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -196.689568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.689568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.689568 (E_RNA)
where:
Base-Base interactions energy: -125.229
where: short stacking energy: -67.519
Base-Backbone interact. energy: -0.448
local terms energy: -71.012424
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -8.518
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: 9, replica: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -129.917589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.917589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.917589 (E_RNA)
where:
Base-Base interactions energy: -74.187
where: short stacking energy: -33.797
Base-Backbone interact. energy: 0.086
local terms energy: -55.816506
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -7.441
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: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -193.268497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.268497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.268497 (E_RNA)
where:
Base-Base interactions energy: -131.057
where: short stacking energy: -60.853
Base-Backbone interact. energy: -0.074
local terms energy: -62.137045
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -331.788766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.788766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.788766 (E_RNA)
where:
Base-Base interactions energy: -245.896
where: short stacking energy: -110.957
Base-Backbone interact. energy: -0.123
local terms energy: -85.768989
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -25.436
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: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -301.034509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.034509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.034509 (E_RNA)
where:
Base-Base interactions energy: -216.200
where: short stacking energy: -90.626
Base-Backbone interact. energy: -0.242
local terms energy: -84.592230
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -11.871
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: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -304.055781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.055781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.055781 (E_RNA)
where:
Base-Base interactions energy: -215.102
where: short stacking energy: -96.581
Base-Backbone interact. energy: 0.247
local terms energy: -89.201673
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -22.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -248.781249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.781249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.781249 (E_RNA)
where:
Base-Base interactions energy: -173.631
where: short stacking energy: -80.779
Base-Backbone interact. energy: -0.015
local terms energy: -75.135004
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -20.034
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: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -245.859645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.859645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.859645 (E_RNA)
where:
Base-Base interactions energy: -170.396
where: short stacking energy: -67.330
Base-Backbone interact. energy: -0.515
local terms energy: -74.948807
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -11.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -255.622553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.622553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.622553 (E_RNA)
where:
Base-Base interactions energy: -173.336
where: short stacking energy: -78.960
Base-Backbone interact. energy: -1.449
local terms energy: -80.837995
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -245.747644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.747644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.747644 (E_RNA)
where:
Base-Base interactions energy: -165.386
where: short stacking energy: -87.994
Base-Backbone interact. energy: -0.335
local terms energy: -80.025992
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -21.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -233.974551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.974551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.974551 (E_RNA)
where:
Base-Base interactions energy: -155.144
where: short stacking energy: -69.881
Base-Backbone interact. energy: -0.423
local terms energy: -78.407839
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -142.308576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.308576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.308576 (E_RNA)
where:
Base-Base interactions energy: -90.477
where: short stacking energy: -44.869
Base-Backbone interact. energy: -0.084
local terms energy: -51.747537
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -187.025563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.025563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.025563 (E_RNA)
where:
Base-Base interactions energy: -119.686
where: short stacking energy: -60.161
Base-Backbone interact. energy: -0.113
local terms energy: -67.226366
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -326.421419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.421419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.421419 (E_RNA)
where:
Base-Base interactions energy: -241.135
where: short stacking energy: -106.488
Base-Backbone interact. energy: -0.125
local terms energy: -85.161232
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -24.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -295.307642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.307642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.307642 (E_RNA)
where:
Base-Base interactions energy: -213.585
where: short stacking energy: -89.770
Base-Backbone interact. energy: -0.373
local terms energy: -81.348700
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -308.398998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.398998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.398998 (E_RNA)
where:
Base-Base interactions energy: -227.399
where: short stacking energy: -97.125
Base-Backbone interact. energy: -0.006
local terms energy: -80.993817
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -8.155
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -21.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -257.527723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.527723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.527723 (E_RNA)
where:
Base-Base interactions energy: -179.843
where: short stacking energy: -70.926
Base-Backbone interact. energy: 0.377
local terms energy: -78.061989
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -16.401
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: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -254.762916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.762916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.762916 (E_RNA)
where:
Base-Base interactions energy: -182.992
where: short stacking energy: -75.095
Base-Backbone interact. energy: -0.533
local terms energy: -71.237526
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -7.288
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: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -242.639119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.639119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.639119 (E_RNA)
where:
Base-Base interactions energy: -162.651
where: short stacking energy: -70.852
Base-Backbone interact. energy: 0.662
local terms energy: -80.649881
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -223.835975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.835975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.835975 (E_RNA)
where:
Base-Base interactions energy: -148.947
where: short stacking energy: -69.549
Base-Backbone interact. energy: -0.352
local terms energy: -74.536894
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -222.446831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.446831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.446831 (E_RNA)
where:
Base-Base interactions energy: -148.496
where: short stacking energy: -67.091
Base-Backbone interact. energy: -0.174
local terms energy: -73.776967
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -192.469902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.469902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.469902 (E_RNA)
where:
Base-Base interactions energy: -139.126
where: short stacking energy: -61.603
Base-Backbone interact. energy: -0.058
local terms energy: -53.285661
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -152.676215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.676215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.676215 (E_RNA)
where:
Base-Base interactions energy: -100.326
where: short stacking energy: -58.874
Base-Backbone interact. energy: -0.436
local terms energy: -51.913836
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -1.788
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -323.740665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.740665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.740665 (E_RNA)
where:
Base-Base interactions energy: -233.497
where: short stacking energy: -105.338
Base-Backbone interact. energy: -0.962
local terms energy: -89.281567
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -24.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -310.862116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.862116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.862116 (E_RNA)
where:
Base-Base interactions energy: -229.678
where: short stacking energy: -101.692
Base-Backbone interact. energy: 0.508
local terms energy: -81.692477
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -22.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -277.375877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.375877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.375877 (E_RNA)
where:
Base-Base interactions energy: -192.969
where: short stacking energy: -90.185
Base-Backbone interact. energy: -0.176
local terms energy: -84.231153
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -261.932438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.932438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.932438 (E_RNA)
where:
Base-Base interactions energy: -193.658
where: short stacking energy: -77.017
Base-Backbone interact. energy: -1.057
local terms energy: -67.217294
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -8.057
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: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -258.986038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.986038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.986038 (E_RNA)
where:
Base-Base interactions energy: -184.781
where: short stacking energy: -82.383
Base-Backbone interact. energy: -0.020
local terms energy: -74.184722
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -15.145
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: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -240.929519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.929519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.929519 (E_RNA)
where:
Base-Base interactions energy: -163.936
where: short stacking energy: -78.608
Base-Backbone interact. energy: 0.889
local terms energy: -77.882948
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -226.076992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.076992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.076992 (E_RNA)
where:
Base-Base interactions energy: -161.666
where: short stacking energy: -68.074
Base-Backbone interact. energy: 0.315
local terms energy: -64.725580
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -14.422
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: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -231.302287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.302287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.302287 (E_RNA)
where:
Base-Base interactions energy: -152.233
where: short stacking energy: -82.880
Base-Backbone interact. energy: 1.175
local terms energy: -80.244042
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -219.818024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.818024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.818024 (E_RNA)
where:
Base-Base interactions energy: -138.344
where: short stacking energy: -81.347
Base-Backbone interact. energy: -0.217
local terms energy: -81.257402
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -187.252093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.252093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.252093 (E_RNA)
where:
Base-Base interactions energy: -130.484
where: short stacking energy: -54.356
Base-Backbone interact. energy: -1.173
local terms energy: -55.595503
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -9.724
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: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -324.410760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.410760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.410760 (E_RNA)
where:
Base-Base interactions energy: -236.529
where: short stacking energy: -102.841
Base-Backbone interact. energy: -0.031
local terms energy: -87.850719
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -27.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -317.540110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.540110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.540110 (E_RNA)
where:
Base-Base interactions energy: -227.286
where: short stacking energy: -98.868
Base-Backbone interact. energy: -0.748
local terms energy: -89.506857
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -22.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -269.329084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.329084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.329084 (E_RNA)
where:
Base-Base interactions energy: -188.295
where: short stacking energy: -87.515
Base-Backbone interact. energy: -0.263
local terms energy: -80.771165
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -18.785
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: 82
Temperature: 1.050000
Total energy: -256.353074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.353074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.353074 (E_RNA)
where:
Base-Base interactions energy: -186.847
where: short stacking energy: -75.538
Base-Backbone interact. energy: -0.119
local terms energy: -69.387054
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -256.808483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.808483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.808483 (E_RNA)
where:
Base-Base interactions energy: -196.012
where: short stacking energy: -75.830
Base-Backbone interact. energy: -0.127
local terms energy: -60.668645
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: 0.470
tors. eta vs tors. theta energy: -20.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -244.557391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.557391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.557391 (E_RNA)
where:
Base-Base interactions energy: -174.692
where: short stacking energy: -75.750
Base-Backbone interact. energy: -0.132
local terms energy: -69.732955
where:
bonds (distance) C4'-P energy: -7.346
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -230.401089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.401089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.401089 (E_RNA)
where:
Base-Base interactions energy: -156.668
where: short stacking energy: -74.379
Base-Backbone interact. energy: -0.220
local terms energy: -73.512504
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -231.841092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.841092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.841092 (E_RNA)
where:
Base-Base interactions energy: -166.402
where: short stacking energy: -87.445
Base-Backbone interact. energy: -0.214
local terms energy: -65.225010
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -198.242744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.242744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.242744 (E_RNA)
where:
Base-Base interactions energy: -134.314
where: short stacking energy: -73.890
Base-Backbone interact. energy: -0.371
local terms energy: -63.557609
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -171.750204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.750204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.750204 (E_RNA)
where:
Base-Base interactions energy: -110.032
where: short stacking energy: -57.880
Base-Backbone interact. energy: -0.716
local terms energy: -61.002624
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -12.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -321.532845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.532845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.532845 (E_RNA)
where:
Base-Base interactions energy: -236.792
where: short stacking energy: -106.931
Base-Backbone interact. energy: -0.157
local terms energy: -84.583937
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -26.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -311.621143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.621143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.621143 (E_RNA)
where:
Base-Base interactions energy: -221.923
where: short stacking energy: -99.975
Base-Backbone interact. energy: -0.008
local terms energy: -89.690629
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -21.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -261.836932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.836932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.836932 (E_RNA)
where:
Base-Base interactions energy: -185.424
where: short stacking energy: -83.068
Base-Backbone interact. energy: -1.584
local terms energy: -74.829396
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -11.758
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: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -272.249696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.249696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.249696 (E_RNA)
where:
Base-Base interactions energy: -195.858
where: short stacking energy: -83.542
Base-Backbone interact. energy: -0.079
local terms energy: -76.312760
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -243.298500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.298500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.298500 (E_RNA)
where:
Base-Base interactions energy: -173.672
where: short stacking energy: -77.388
Base-Backbone interact. energy: 2.972
local terms energy: -72.599156
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -240.629882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.629882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.629882 (E_RNA)
where:
Base-Base interactions energy: -165.290
where: short stacking energy: -72.362
Base-Backbone interact. energy: -0.547
local terms energy: -74.792514
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -19.476
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: 83
Temperature: 1.200000
Total energy: -243.009927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.009927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.009927 (E_RNA)
where:
Base-Base interactions energy: -177.266
where: short stacking energy: -72.073
Base-Backbone interact. energy: -0.249
local terms energy: -65.495089
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -2.750
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -237.787530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.787530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.787530 (E_RNA)
where:
Base-Base interactions energy: -157.076
where: short stacking energy: -78.350
Base-Backbone interact. energy: -0.769
local terms energy: -79.942619
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -11.904
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: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -177.131464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.131464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.131464 (E_RNA)
where:
Base-Base interactions energy: -108.135
where: short stacking energy: -54.551
Base-Backbone interact. energy: -0.370
local terms energy: -68.625818
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -8.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -160.066636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.066636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.066636 (E_RNA)
where:
Base-Base interactions energy: -109.411
where: short stacking energy: -56.717
Base-Backbone interact. energy: -0.285
local terms energy: -50.370614
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -316.604161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.604161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.604161 (E_RNA)
where:
Base-Base interactions energy: -233.538
where: short stacking energy: -96.238
Base-Backbone interact. energy: -0.220
local terms energy: -82.845786
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -25.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -311.650308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.650308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.650308 (E_RNA)
where:
Base-Base interactions energy: -226.427
where: short stacking energy: -94.581
Base-Backbone interact. energy: -0.012
local terms energy: -85.210590
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -22.712
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: 6
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -279.733511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.733511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.733511 (E_RNA)
where:
Base-Base interactions energy: -202.861
where: short stacking energy: -85.950
Base-Backbone interact. energy: -0.234
local terms energy: -76.638296
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -6.074
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: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -261.266577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.266577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.266577 (E_RNA)
where:
Base-Base interactions energy: -191.011
where: short stacking energy: -79.082
Base-Backbone interact. energy: -0.506
local terms energy: -69.749413
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -7.849
flat angles P-C4'-P energy: -7.945
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: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -269.643906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.643906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.643906 (E_RNA)
where:
Base-Base interactions energy: -182.285
where: short stacking energy: -91.478
Base-Backbone interact. energy: -0.790
local terms energy: -86.569171
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -20.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -251.102805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.102805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.102805 (E_RNA)
where:
Base-Base interactions energy: -190.628
where: short stacking energy: -85.147
Base-Backbone interact. energy: 1.008
local terms energy: -61.483354
where:
bonds (distance) C4'-P energy: -5.914
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -250.960905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.960905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.960905 (E_RNA)
where:
Base-Base interactions energy: -169.245
where: short stacking energy: -86.340
Base-Backbone interact. energy: -0.630
local terms energy: -81.085924
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -21.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -233.170322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.170322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.170322 (E_RNA)
where:
Base-Base interactions energy: -163.685
where: short stacking energy: -67.656
Base-Backbone interact. energy: -1.581
local terms energy: -67.903960
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -14.546
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: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -161.749532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.749532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.749532 (E_RNA)
where:
Base-Base interactions energy: -95.935
where: short stacking energy: -56.635
Base-Backbone interact. energy: -0.015
local terms energy: -65.799497
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -196.187258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.187258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.187258 (E_RNA)
where:
Base-Base interactions energy: -130.032
where: short stacking energy: -55.420
Base-Backbone interact. energy: -0.045
local terms energy: -66.110053
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -326.017758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.017758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.017758 (E_RNA)
where:
Base-Base interactions energy: -241.111
where: short stacking energy: -107.211
Base-Backbone interact. energy: -0.050
local terms energy: -84.857165
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -314.142930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.142930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.142930 (E_RNA)
where:
Base-Base interactions energy: -232.411
where: short stacking energy: -99.276
Base-Backbone interact. energy: -0.172
local terms energy: -81.559470
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -281.154017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.154017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.154017 (E_RNA)
where:
Base-Base interactions energy: -198.424
where: short stacking energy: -87.063
Base-Backbone interact. energy: -0.339
local terms energy: -82.391049
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -275.473690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.473690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.473690 (E_RNA)
where:
Base-Base interactions energy: -191.970
where: short stacking energy: -90.803
Base-Backbone interact. energy: -1.368
local terms energy: -82.136490
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -251.420988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.420988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.420988 (E_RNA)
where:
Base-Base interactions energy: -186.689
where: short stacking energy: -86.521
Base-Backbone interact. energy: -0.182
local terms energy: -64.549978
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -238.729836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.729836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.729836 (E_RNA)
where:
Base-Base interactions energy: -165.300
where: short stacking energy: -84.837
Base-Backbone interact. energy: -0.646
local terms energy: -72.783354
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -4.656
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: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -245.255962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.255962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.255962 (E_RNA)
where:
Base-Base interactions energy: -178.631
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.071
local terms energy: -66.554280
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -223.880095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.880095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.880095 (E_RNA)
where:
Base-Base interactions energy: -160.407
where: short stacking energy: -69.257
Base-Backbone interact. energy: -0.139
local terms energy: -63.333885
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -9.733
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -12.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -179.250078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.250078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.250078 (E_RNA)
where:
Base-Base interactions energy: -116.944
where: short stacking energy: -61.192
Base-Backbone interact. energy: -0.839
local terms energy: -61.466958
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -11.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -195.303177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.303177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.303177 (E_RNA)
where:
Base-Base interactions energy: -130.119
where: short stacking energy: -65.626
Base-Backbone interact. energy: 0.194
local terms energy: -65.377752
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -14.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -312.064870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.064870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.064870 (E_RNA)
where:
Base-Base interactions energy: -217.754
where: short stacking energy: -99.858
Base-Backbone interact. energy: -0.002
local terms energy: -94.308217
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -24.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -321.969392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.969392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.969392 (E_RNA)
where:
Base-Base interactions energy: -239.663
where: short stacking energy: -108.594
Base-Backbone interact. energy: -0.001
local terms energy: -82.305831
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -24.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -257.248227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.248227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.248227 (E_RNA)
where:
Base-Base interactions energy: -168.223
where: short stacking energy: -85.233
Base-Backbone interact. energy: -0.393
local terms energy: -88.631917
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -14.471
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: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -257.217771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.217771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.217771 (E_RNA)
where:
Base-Base interactions energy: -174.672
where: short stacking energy: -90.037
Base-Backbone interact. energy: -0.237
local terms energy: -82.308853
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -252.734968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.734968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.734968 (E_RNA)
where:
Base-Base interactions energy: -183.255
where: short stacking energy: -74.783
Base-Backbone interact. energy: 2.269
local terms energy: -71.748564
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -10.195
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: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -246.859705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.859705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.859705 (E_RNA)
where:
Base-Base interactions energy: -167.932
where: short stacking energy: -83.039
Base-Backbone interact. energy: -2.882
local terms energy: -76.045743
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -243.741622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.741622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.741622 (E_RNA)
where:
Base-Base interactions energy: -172.363
where: short stacking energy: -82.896
Base-Backbone interact. energy: -0.119
local terms energy: -71.258988
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -222.354784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.354784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.354784 (E_RNA)
where:
Base-Base interactions energy: -159.701
where: short stacking energy: -64.484
Base-Backbone interact. energy: -0.408
local terms energy: -62.245343
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -8.383
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: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -205.326513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.326513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.326513 (E_RNA)
where:
Base-Base interactions energy: -131.163
where: short stacking energy: -64.747
Base-Backbone interact. energy: -0.016
local terms energy: -74.146860
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -11.635
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: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -200.165454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.165454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.165454 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -59.031
Base-Backbone interact. energy: -0.421
local terms energy: -61.587163
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -7.754
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -11.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -316.005984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.005984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.005984 (E_RNA)
where:
Base-Base interactions energy: -234.984
where: short stacking energy: -91.071
Base-Backbone interact. energy: -0.103
local terms energy: -80.918942
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -24.445
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: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -301.948814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.948814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.948814 (E_RNA)
where:
Base-Base interactions energy: -228.257
where: short stacking energy: -94.793
Base-Backbone interact. energy: -0.291
local terms energy: -73.401331
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -268.126222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.126222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.126222 (E_RNA)
where:
Base-Base interactions energy: -187.112
where: short stacking energy: -100.090
Base-Backbone interact. energy: -0.284
local terms energy: -80.729558
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -24.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -265.414870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.414870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.414870 (E_RNA)
where:
Base-Base interactions energy: -192.405
where: short stacking energy: -78.624
Base-Backbone interact. energy: -1.498
local terms energy: -71.511809
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -261.482252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.482252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.482252 (E_RNA)
where:
Base-Base interactions energy: -183.059
where: short stacking energy: -89.194
Base-Backbone interact. energy: -0.169
local terms energy: -78.254255
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -13.593
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: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -231.011382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.011382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.011382 (E_RNA)
where:
Base-Base interactions energy: -167.701
where: short stacking energy: -69.731
Base-Backbone interact. energy: -0.296
local terms energy: -63.014826
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -13.383
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: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -240.190078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.190078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.190078 (E_RNA)
where:
Base-Base interactions energy: -161.799
where: short stacking energy: -75.769
Base-Backbone interact. energy: -0.620
local terms energy: -77.771383
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -198.351575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.351575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.351575 (E_RNA)
where:
Base-Base interactions energy: -124.261
where: short stacking energy: -68.708
Base-Backbone interact. energy: -0.064
local terms energy: -74.026037
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -13.728
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: 9, replica: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -219.899182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.899182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.899182 (E_RNA)
where:
Base-Base interactions energy: -157.492
where: short stacking energy: -62.760
Base-Backbone interact. energy: 0.966
local terms energy: -63.372264
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -188.391163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.391163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.391163 (E_RNA)
where:
Base-Base interactions energy: -134.495
where: short stacking energy: -58.055
Base-Backbone interact. energy: -0.803
local terms energy: -53.093417
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -304.873612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.873612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.873612 (E_RNA)
where:
Base-Base interactions energy: -229.859
where: short stacking energy: -94.699
Base-Backbone interact. energy: -0.385
local terms energy: -74.629759
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -8.727
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: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -312.302793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.302793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.302793 (E_RNA)
where:
Base-Base interactions energy: -221.136
where: short stacking energy: -93.265
Base-Backbone interact. energy: -0.004
local terms energy: -91.162035
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -25.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -253.914938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.914938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.914938 (E_RNA)
where:
Base-Base interactions energy: -172.230
where: short stacking energy: -76.468
Base-Backbone interact. energy: 0.213
local terms energy: -81.897895
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -266.179701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.179701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.179701 (E_RNA)
where:
Base-Base interactions energy: -183.025
where: short stacking energy: -94.869
Base-Backbone interact. energy: -0.003
local terms energy: -83.151819
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -245.373202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.373202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.373202 (E_RNA)
where:
Base-Base interactions energy: -169.709
where: short stacking energy: -70.566
Base-Backbone interact. energy: -1.360
local terms energy: -74.304325
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -17.439
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: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -257.388875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.388875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.388875 (E_RNA)
where:
Base-Base interactions energy: -173.965
where: short stacking energy: -81.518
Base-Backbone interact. energy: -0.772
local terms energy: -82.652012
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -244.686801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.686801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.686801 (E_RNA)
where:
Base-Base interactions energy: -165.102
where: short stacking energy: -86.710
Base-Backbone interact. energy: -0.030
local terms energy: -79.554978
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -206.643957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.643957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.643957 (E_RNA)
where:
Base-Base interactions energy: -138.424
where: short stacking energy: -71.410
Base-Backbone interact. energy: -0.071
local terms energy: -68.148857
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -13.713
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: 88
Temperature: 1.300000
Total energy: -222.967384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.967384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.967384 (E_RNA)
where:
Base-Base interactions energy: -156.330
where: short stacking energy: -65.596
Base-Backbone interact. energy: 0.034
local terms energy: -66.671896
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -8.950
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: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -152.258985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.258985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.258985 (E_RNA)
where:
Base-Base interactions energy: -92.163
where: short stacking energy: -41.814
Base-Backbone interact. energy: -0.406
local terms energy: -59.690124
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -304.571167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.571167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.571167 (E_RNA)
where:
Base-Base interactions energy: -217.035
where: short stacking energy: -101.812
Base-Backbone interact. energy: -0.044
local terms energy: -87.492946
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -20.903
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: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -303.287606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.287606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.287606 (E_RNA)
where:
Base-Base interactions energy: -219.088
where: short stacking energy: -100.674
Base-Backbone interact. energy: -0.007
local terms energy: -84.192263
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -23.067
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: 89
Temperature: 1.000000
Total energy: -257.016196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.016196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.016196 (E_RNA)
where:
Base-Base interactions energy: -181.392
where: short stacking energy: -78.565
Base-Backbone interact. energy: -0.410
local terms energy: -75.214772
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -259.801110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.801110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.801110 (E_RNA)
where:
Base-Base interactions energy: -183.999
where: short stacking energy: -72.697
Base-Backbone interact. energy: -0.353
local terms energy: -75.448337
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -19.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -248.911197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.911197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.911197 (E_RNA)
where:
Base-Base interactions energy: -174.019
where: short stacking energy: -72.740
Base-Backbone interact. energy: -0.266
local terms energy: -74.626116
where:
bonds (distance) C4'-P energy: -8.751
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -246.177615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.177615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.177615 (E_RNA)
where:
Base-Base interactions energy: -169.099
where: short stacking energy: -82.193
Base-Backbone interact. energy: 1.147
local terms energy: -78.225103
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -273.167382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.167382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.167382 (E_RNA)
where:
Base-Base interactions energy: -204.047
where: short stacking energy: -86.561
Base-Backbone interact. energy: 0.006
local terms energy: -69.126464
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -236.611419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.611419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.611419 (E_RNA)
where:
Base-Base interactions energy: -167.106
where: short stacking energy: -69.401
Base-Backbone interact. energy: -0.449
local terms energy: -69.056469
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -17.155
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: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -203.679736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.679736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.679736 (E_RNA)
where:
Base-Base interactions energy: -134.845
where: short stacking energy: -77.844
Base-Backbone interact. energy: -0.704
local terms energy: -68.130807
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: -20.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -172.503847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.503847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.503847 (E_RNA)
where:
Base-Base interactions energy: -105.689
where: short stacking energy: -58.341
Base-Backbone interact. energy: -0.187
local terms energy: -66.627603
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -309.444380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.444380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.444380 (E_RNA)
where:
Base-Base interactions energy: -221.620
where: short stacking energy: -100.377
Base-Backbone interact. energy: -0.002
local terms energy: -87.822061
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -23.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -313.895859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.895859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.895859 (E_RNA)
where:
Base-Base interactions energy: -224.226
where: short stacking energy: -106.730
Base-Backbone interact. energy: -0.333
local terms energy: -89.336677
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -24.820
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: 90
Temperature: 1.000000
Total energy: -255.134087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.134087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.134087 (E_RNA)
where:
Base-Base interactions energy: -174.567
where: short stacking energy: -78.797
Base-Backbone interact. energy: -0.522
local terms energy: -80.045621
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -263.629137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.629137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.629137 (E_RNA)
where:
Base-Base interactions energy: -185.341
where: short stacking energy: -87.926
Base-Backbone interact. energy: -0.240
local terms energy: -78.048807
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -277.393811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.393811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.393811 (E_RNA)
where:
Base-Base interactions energy: -183.120
where: short stacking energy: -95.401
Base-Backbone interact. energy: -0.632
local terms energy: -93.641837
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -24.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -247.032625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.032625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.032625 (E_RNA)
where:
Base-Base interactions energy: -168.571
where: short stacking energy: -90.866
Base-Backbone interact. energy: -0.901
local terms energy: -77.561084
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -22.149
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: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -265.377004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.377004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.377004 (E_RNA)
where:
Base-Base interactions energy: -189.963
where: short stacking energy: -73.490
Base-Backbone interact. energy: -0.555
local terms energy: -74.858350
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -219.853269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.853269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.853269 (E_RNA)
where:
Base-Base interactions energy: -154.206
where: short stacking energy: -59.728
Base-Backbone interact. energy: 1.549
local terms energy: -67.196128
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -13.140
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: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -199.685739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.685739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.685739 (E_RNA)
where:
Base-Base interactions energy: -138.370
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.420
local terms energy: -60.896074
where:
bonds (distance) C4'-P energy: -5.918
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -9.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -162.825531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.825531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.825531 (E_RNA)
where:
Base-Base interactions energy: -92.218
where: short stacking energy: -53.354
Base-Backbone interact. energy: -0.188
local terms energy: -70.419298
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -13.382
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: 91
Temperature: 0.900000
Total energy: -318.412235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.412235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.412235 (E_RNA)
where:
Base-Base interactions energy: -233.340
where: short stacking energy: -101.158
Base-Backbone interact. energy: -0.614
local terms energy: -84.458783
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -24.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -308.336793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.336793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.336793 (E_RNA)
where:
Base-Base interactions energy: -222.999
where: short stacking energy: -90.545
Base-Backbone interact. energy: -0.102
local terms energy: -85.236089
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -263.396762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.396762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.396762 (E_RNA)
where:
Base-Base interactions energy: -187.413
where: short stacking energy: -80.324
Base-Backbone interact. energy: -0.003
local terms energy: -75.981223
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -10.042
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: 4, replica: 8
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -270.041115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.041115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.041115 (E_RNA)
where:
Base-Base interactions energy: -185.350
where: short stacking energy: -100.768
Base-Backbone interact. energy: -0.789
local terms energy: -83.901946
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -23.265
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: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -263.956133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.956133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.956133 (E_RNA)
where:
Base-Base interactions energy: -179.887
where: short stacking energy: -81.453
Base-Backbone interact. energy: -0.738
local terms energy: -83.330323
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -19.659
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: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -239.659262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.659262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.659262 (E_RNA)
where:
Base-Base interactions energy: -170.528
where: short stacking energy: -83.867
Base-Backbone interact. energy: -0.320
local terms energy: -68.811983
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -16.942
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: 91
Temperature: 1.200000
Total energy: -231.091168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.091168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.091168 (E_RNA)
where:
Base-Base interactions energy: -157.162
where: short stacking energy: -79.139
Base-Backbone interact. energy: -0.136
local terms energy: -73.793070
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -229.358407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.358407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.358407 (E_RNA)
where:
Base-Base interactions energy: -167.052
where: short stacking energy: -66.575
Base-Backbone interact. energy: -0.360
local terms energy: -61.945805
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -6.319
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: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -199.439671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.439671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.439671 (E_RNA)
where:
Base-Base interactions energy: -133.249
where: short stacking energy: -66.150
Base-Backbone interact. energy: -0.549
local terms energy: -65.642201
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -18.041
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: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -151.525433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.525433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.525433 (E_RNA)
where:
Base-Base interactions energy: -96.050
where: short stacking energy: -46.778
Base-Backbone interact. energy: -0.108
local terms energy: -55.367515
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -7.061
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -6.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -321.747791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.747791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.747791 (E_RNA)
where:
Base-Base interactions energy: -226.873
where: short stacking energy: -93.961
Base-Backbone interact. energy: -0.600
local terms energy: -94.275114
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -315.077304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.077304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.077304 (E_RNA)
where:
Base-Base interactions energy: -229.129
where: short stacking energy: -95.217
Base-Backbone interact. energy: -0.260
local terms energy: -85.688147
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -26.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -264.707846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.707846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.707846 (E_RNA)
where:
Base-Base interactions energy: -190.579
where: short stacking energy: -80.344
Base-Backbone interact. energy: -0.002
local terms energy: -74.126727
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -267.164598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.164598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.164598 (E_RNA)
where:
Base-Base interactions energy: -181.282
where: short stacking energy: -96.743
Base-Backbone interact. energy: -0.809
local terms energy: -85.072992
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -23.098
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: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -246.901694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.901694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.901694 (E_RNA)
where:
Base-Base interactions energy: -168.496
where: short stacking energy: -81.731
Base-Backbone interact. energy: -0.049
local terms energy: -78.356912
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -259.471504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.471504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.471504 (E_RNA)
where:
Base-Base interactions energy: -190.257
where: short stacking energy: -82.090
Base-Backbone interact. energy: -0.854
local terms energy: -68.360574
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -16.329
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: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -233.461644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.461644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.461644 (E_RNA)
where:
Base-Base interactions energy: -153.825
where: short stacking energy: -79.351
Base-Backbone interact. energy: -0.504
local terms energy: -79.132818
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -226.622127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.622127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.622127 (E_RNA)
where:
Base-Base interactions energy: -150.640
where: short stacking energy: -61.989
Base-Backbone interact. energy: -0.525
local terms energy: -75.456777
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -158.790788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.790788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.790788 (E_RNA)
where:
Base-Base interactions energy: -91.469
where: short stacking energy: -52.578
Base-Backbone interact. energy: -0.256
local terms energy: -67.066085
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -11.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -187.778097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.778097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.778097 (E_RNA)
where:
Base-Base interactions energy: -121.179
where: short stacking energy: -67.877
Base-Backbone interact. energy: 1.509
local terms energy: -68.108229
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -7.297
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: 1, replica: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -315.524605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.524605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.524605 (E_RNA)
where:
Base-Base interactions energy: -231.188
where: short stacking energy: -101.881
Base-Backbone interact. energy: -0.041
local terms energy: -84.294834
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -26.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -314.871186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.871186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.871186 (E_RNA)
where:
Base-Base interactions energy: -227.294
where: short stacking energy: -95.972
Base-Backbone interact. energy: -0.066
local terms energy: -87.510749
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -25.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -250.841069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.841069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.841069 (E_RNA)
where:
Base-Base interactions energy: -175.309
where: short stacking energy: -75.678
Base-Backbone interact. energy: -0.109
local terms energy: -75.423216
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -5.434
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: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -270.773556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.773556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.773556 (E_RNA)
where:
Base-Base interactions energy: -185.001
where: short stacking energy: -98.879
Base-Backbone interact. energy: -1.381
local terms energy: -84.391152
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -23.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -245.841210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.841210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.841210 (E_RNA)
where:
Base-Base interactions energy: -170.546
where: short stacking energy: -90.248
Base-Backbone interact. energy: 0.481
local terms energy: -75.776535
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -19.432
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: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -243.368951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.368951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.368951 (E_RNA)
where:
Base-Base interactions energy: -169.204
where: short stacking energy: -62.801
Base-Backbone interact. energy: -1.042
local terms energy: -73.123661
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -228.212337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.212337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.212337 (E_RNA)
where:
Base-Base interactions energy: -152.941
where: short stacking energy: -69.510
Base-Backbone interact. energy: -0.729
local terms energy: -74.543114
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -235.188676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.188676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.188676 (E_RNA)
where:
Base-Base interactions energy: -159.312
where: short stacking energy: -54.590
Base-Backbone interact. energy: -0.178
local terms energy: -75.699128
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -154.471553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.471553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.471553 (E_RNA)
where:
Base-Base interactions energy: -94.501
where: short stacking energy: -53.968
Base-Backbone interact. energy: 5.410
local terms energy: -65.380433
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -6.968
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -11.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -181.326099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.326099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.326099 (E_RNA)
where:
Base-Base interactions energy: -120.446
where: short stacking energy: -47.865
Base-Backbone interact. energy: -0.403
local terms energy: -60.477528
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -309.811111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.811111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.811111 (E_RNA)
where:
Base-Base interactions energy: -217.765
where: short stacking energy: -101.265
Base-Backbone interact. energy: -0.007
local terms energy: -92.039028
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -25.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -317.978069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.978069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.978069 (E_RNA)
where:
Base-Base interactions energy: -235.526
where: short stacking energy: -98.556
Base-Backbone interact. energy: -0.043
local terms energy: -82.408609
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -25.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -262.725404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.725404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.725404 (E_RNA)
where:
Base-Base interactions energy: -179.026
where: short stacking energy: -85.151
Base-Backbone interact. energy: -0.277
local terms energy: -83.422646
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -20.441
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: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -253.016051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.016051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.016051 (E_RNA)
where:
Base-Base interactions energy: -175.755
where: short stacking energy: -72.625
Base-Backbone interact. energy: -0.289
local terms energy: -76.972112
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -249.151664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.151664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.151664 (E_RNA)
where:
Base-Base interactions energy: -174.611
where: short stacking energy: -69.320
Base-Backbone interact. energy: 0.154
local terms energy: -74.694891
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -249.483374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.483374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.483374 (E_RNA)
where:
Base-Base interactions energy: -171.652
where: short stacking energy: -80.563
Base-Backbone interact. energy: -0.696
local terms energy: -77.135262
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -19.722
flat angles P-C4'-P energy: -9.979
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: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -237.382209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.382209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.382209 (E_RNA)
where:
Base-Base interactions energy: -167.472
where: short stacking energy: -74.027
Base-Backbone interact. energy: -0.058
local terms energy: -69.852793
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -230.267114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.267114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.267114 (E_RNA)
where:
Base-Base interactions energy: -168.455
where: short stacking energy: -70.775
Base-Backbone interact. energy: -0.366
local terms energy: -61.446559
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -6.019
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -176.788242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.788242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.788242 (E_RNA)
where:
Base-Base interactions energy: -116.928
where: short stacking energy: -60.351
Base-Backbone interact. energy: -0.625
local terms energy: -59.235706
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -6.368
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: 10, replica: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -168.918171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.918171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.918171 (E_RNA)
where:
Base-Base interactions energy: -114.665
where: short stacking energy: -60.451
Base-Backbone interact. energy: -0.246
local terms energy: -54.007829
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -9.327
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -11.757
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: 95
Temperature: 0.900000
Total energy: -315.054402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.054402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.054402 (E_RNA)
where:
Base-Base interactions energy: -224.705
where: short stacking energy: -103.487
Base-Backbone interact. energy: -0.004
local terms energy: -90.345399
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -25.170
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: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -278.815792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.815792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.815792 (E_RNA)
where:
Base-Base interactions energy: -188.955
where: short stacking energy: -94.228
Base-Backbone interact. energy: -0.142
local terms energy: -89.719304
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -24.476
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: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -310.074016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.074016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.074016 (E_RNA)
where:
Base-Base interactions energy: -233.396
where: short stacking energy: -99.520
Base-Backbone interact. energy: -0.312
local terms energy: -76.366490
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -23.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -258.851040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.851040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.851040 (E_RNA)
where:
Base-Base interactions energy: -177.919
where: short stacking energy: -82.569
Base-Backbone interact. energy: -1.150
local terms energy: -79.781828
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -248.836546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.836546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.836546 (E_RNA)
where:
Base-Base interactions energy: -179.914
where: short stacking energy: -84.246
Base-Backbone interact. energy: 0.261
local terms energy: -69.183409
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -18.268
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: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -234.497675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.497675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.497675 (E_RNA)
where:
Base-Base interactions energy: -164.218
where: short stacking energy: -74.852
Base-Backbone interact. energy: -0.993
local terms energy: -69.286506
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -9.604
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -246.680442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.680442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.680442 (E_RNA)
where:
Base-Base interactions energy: -171.575
where: short stacking energy: -86.735
Base-Backbone interact. energy: -0.087
local terms energy: -75.018754
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -228.335009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.335009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.335009 (E_RNA)
where:
Base-Base interactions energy: -159.541
where: short stacking energy: -61.412
Base-Backbone interact. energy: 0.065
local terms energy: -68.859422
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -199.650383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.650383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.650383 (E_RNA)
where:
Base-Base interactions energy: -136.401
where: short stacking energy: -64.440
Base-Backbone interact. energy: -0.955
local terms energy: -62.294559
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -153.408288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.408288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.408288 (E_RNA)
where:
Base-Base interactions energy: -85.644
where: short stacking energy: -47.916
Base-Backbone interact. energy: -0.062
local terms energy: -67.701838
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -9.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -313.289606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.289606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.289606 (E_RNA)
where:
Base-Base interactions energy: -228.672
where: short stacking energy: -104.303
Base-Backbone interact. energy: -0.055
local terms energy: -84.562688
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -26.917
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: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -270.334477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.334477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.334477 (E_RNA)
where:
Base-Base interactions energy: -185.056
where: short stacking energy: -88.713
Base-Backbone interact. energy: -0.054
local terms energy: -85.223657
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -18.267
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -24.554
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: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -305.301537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.301537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.301537 (E_RNA)
where:
Base-Base interactions energy: -236.734
where: short stacking energy: -96.105
Base-Backbone interact. energy: -0.232
local terms energy: -68.336127
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -7.583
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -23.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -262.741183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.741183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.741183 (E_RNA)
where:
Base-Base interactions energy: -183.215
where: short stacking energy: -85.077
Base-Backbone interact. energy: -0.198
local terms energy: -79.328528
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -245.208387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.208387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.208387 (E_RNA)
where:
Base-Base interactions energy: -168.157
where: short stacking energy: -87.685
Base-Backbone interact. energy: 1.084
local terms energy: -78.136024
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -11.614
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: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -246.605942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.605942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.605942 (E_RNA)
where:
Base-Base interactions energy: -178.285
where: short stacking energy: -83.120
Base-Backbone interact. energy: -0.010
local terms energy: -68.310815
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -16.199
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: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -230.754016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.754016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.754016 (E_RNA)
where:
Base-Base interactions energy: -156.757
where: short stacking energy: -58.440
Base-Backbone interact. energy: -0.728
local terms energy: -73.268167
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -8.610
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: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -221.269154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.269154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.269154 (E_RNA)
where:
Base-Base interactions energy: -155.826
where: short stacking energy: -87.899
Base-Backbone interact. energy: -0.084
local terms energy: -65.358707
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -9.449
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: 9, replica: 1
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -163.529676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.529676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.529676 (E_RNA)
where:
Base-Base interactions energy: -98.866
where: short stacking energy: -51.992
Base-Backbone interact. energy: -0.169
local terms energy: -64.495597
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -182.330932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.330932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.330932 (E_RNA)
where:
Base-Base interactions energy: -115.415
where: short stacking energy: -54.715
Base-Backbone interact. energy: -0.091
local terms energy: -66.824345
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -315.015701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.015701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.015701 (E_RNA)
where:
Base-Base interactions energy: -219.692
where: short stacking energy: -100.884
Base-Backbone interact. energy: -0.013
local terms energy: -95.309869
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -25.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -310.092547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.092547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.092547 (E_RNA)
where:
Base-Base interactions energy: -235.506
where: short stacking energy: -102.299
Base-Backbone interact. energy: -0.909
local terms energy: -73.677733
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -25.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -261.748345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.748345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.748345 (E_RNA)
where:
Base-Base interactions energy: -175.004
where: short stacking energy: -94.203
Base-Backbone interact. energy: 0.590
local terms energy: -87.333881
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -25.895
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: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -261.081529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.081529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.081529 (E_RNA)
where:
Base-Base interactions energy: -185.987
where: short stacking energy: -83.246
Base-Backbone interact. energy: -1.218
local terms energy: -73.876569
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -21.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -244.790282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.790282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.790282 (E_RNA)
where:
Base-Base interactions energy: -168.739
where: short stacking energy: -66.674
Base-Backbone interact. energy: -0.234
local terms energy: -75.817529
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -11.623
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: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -239.435840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.435840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.435840 (E_RNA)
where:
Base-Base interactions energy: -172.630
where: short stacking energy: -62.452
Base-Backbone interact. energy: 0.989
local terms energy: -67.795396
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -10.342
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: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -244.479290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.479290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.479290 (E_RNA)
where:
Base-Base interactions energy: -179.645
where: short stacking energy: -79.394
Base-Backbone interact. energy: -0.084
local terms energy: -64.750547
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -9.136
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -17.235
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: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -180.395676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.395676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.395676 (E_RNA)
where:
Base-Base interactions energy: -116.640
where: short stacking energy: -53.037
Base-Backbone interact. energy: -0.039
local terms energy: -63.716816
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -202.750653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.750653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.750653 (E_RNA)
where:
Base-Base interactions energy: -135.095
where: short stacking energy: -73.940
Base-Backbone interact. energy: -0.028
local terms energy: -67.628211
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -13.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -142.527029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.527029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.527029 (E_RNA)
where:
Base-Base interactions energy: -86.365
where: short stacking energy: -47.068
Base-Backbone interact. energy: -0.327
local terms energy: -55.834076
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -313.549700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.549700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.549700 (E_RNA)
where:
Base-Base interactions energy: -218.119
where: short stacking energy: -99.472
Base-Backbone interact. energy: 0.315
local terms energy: -95.746044
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -24.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -328.446921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.446921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.446921 (E_RNA)
where:
Base-Base interactions energy: -247.321
where: short stacking energy: -108.544
Base-Backbone interact. energy: -0.507
local terms energy: -80.618988
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -24.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -265.966694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.966694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.966694 (E_RNA)
where:
Base-Base interactions energy: -184.685
where: short stacking energy: -87.865
Base-Backbone interact. energy: -0.192
local terms energy: -81.090028
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -12.859
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: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -248.761095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.761095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.761095 (E_RNA)
where:
Base-Base interactions energy: -168.873
where: short stacking energy: -71.375
Base-Backbone interact. energy: -0.324
local terms energy: -79.564040
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -261.110778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.110778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.110778 (E_RNA)
where:
Base-Base interactions energy: -182.123
where: short stacking energy: -81.851
Base-Backbone interact. energy: -1.106
local terms energy: -77.881810
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -248.736091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.736091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.736091 (E_RNA)
where:
Base-Base interactions energy: -177.606
where: short stacking energy: -77.662
Base-Backbone interact. energy: -0.175
local terms energy: -70.955044
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -232.265324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.265324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.265324 (E_RNA)
where:
Base-Base interactions energy: -165.444
where: short stacking energy: -75.735
Base-Backbone interact. energy: -0.043
local terms energy: -66.778146
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -9.381
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: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -163.486440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.486440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.486440 (E_RNA)
where:
Base-Base interactions energy: -101.481
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.182
local terms energy: -61.823755
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -187.342128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.342128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.342128 (E_RNA)
where:
Base-Base interactions energy: -128.575
where: short stacking energy: -64.180
Base-Backbone interact. energy: -0.151
local terms energy: -58.616106
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -4.900
flat angles P-C4'-P energy: -10.870
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: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -123.305755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.305755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.305755 (E_RNA)
where:
Base-Base interactions energy: -64.782
where: short stacking energy: -41.782
Base-Backbone interact. energy: -0.009
local terms energy: -58.514625
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -314.201214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.201214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.201214 (E_RNA)
where:
Base-Base interactions energy: -229.780
where: short stacking energy: -102.044
Base-Backbone interact. energy: -0.045
local terms energy: -84.375576
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -23.189
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: 99
Temperature: 0.950000
Total energy: -318.760352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.760352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.760352 (E_RNA)
where:
Base-Base interactions energy: -239.314
where: short stacking energy: -104.753
Base-Backbone interact. energy: -0.221
local terms energy: -79.224993
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -24.509
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: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -256.429031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.429031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.429031 (E_RNA)
where:
Base-Base interactions energy: -174.521
where: short stacking energy: -84.431
Base-Backbone interact. energy: -1.286
local terms energy: -80.621239
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -260.426777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.426777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.426777 (E_RNA)
where:
Base-Base interactions energy: -176.285
where: short stacking energy: -78.425
Base-Backbone interact. energy: -0.865
local terms energy: -83.276614
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -16.598
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: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -273.908747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.908747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.908747 (E_RNA)
where:
Base-Base interactions energy: -196.260
where: short stacking energy: -92.903
Base-Backbone interact. energy: -0.135
local terms energy: -77.512954
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -249.498013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.498013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.498013 (E_RNA)
where:
Base-Base interactions energy: -174.175
where: short stacking energy: -66.363
Base-Backbone interact. energy: -0.169
local terms energy: -75.153492
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -240.055706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.055706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.055706 (E_RNA)
where:
Base-Base interactions energy: -160.521
where: short stacking energy: -68.528
Base-Backbone interact. energy: -0.040
local terms energy: -79.494653
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -15.540
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: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -167.753227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.753227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.753227 (E_RNA)
where:
Base-Base interactions energy: -104.747
where: short stacking energy: -49.798
Base-Backbone interact. energy: -0.053
local terms energy: -62.953835
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -182.885879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.885879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.885879 (E_RNA)
where:
Base-Base interactions energy: -117.672
where: short stacking energy: -56.846
Base-Backbone interact. energy: -0.114
local terms energy: -65.099781
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -10.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -153.757438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.757438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.757438 (E_RNA)
where:
Base-Base interactions energy: -97.772
where: short stacking energy: -55.825
Base-Backbone interact. energy: -1.358
local terms energy: -54.627846
where:
bonds (distance) C4'-P energy: -6.332
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -326.730346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.730346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.730346 (E_RNA)
where:
Base-Base interactions energy: -242.434
where: short stacking energy: -108.998
Base-Backbone interact. energy: -0.615
local terms energy: -83.681062
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -26.694
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: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -327.389735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.389735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.389735 (E_RNA)
where:
Base-Base interactions energy: -242.457
where: short stacking energy: -110.768
Base-Backbone interact. energy: -0.002
local terms energy: -84.930638
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -25.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -273.118318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.118318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.118318 (E_RNA)
where:
Base-Base interactions energy: -204.840
where: short stacking energy: -75.724
Base-Backbone interact. energy: -0.027
local terms energy: -68.250732
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -8.272
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -248.370817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.370817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.370817 (E_RNA)
where:
Base-Base interactions energy: -171.014
where: short stacking energy: -71.534
Base-Backbone interact. energy: -1.376
local terms energy: -75.980149
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -13.459
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: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -256.722308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.722308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.722308 (E_RNA)
where:
Base-Base interactions energy: -184.234
where: short stacking energy: -65.400
Base-Backbone interact. energy: -0.016
local terms energy: -72.472012
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -14.776
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: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -263.846465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.846465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.846465 (E_RNA)
where:
Base-Base interactions energy: -176.658
where: short stacking energy: -92.257
Base-Backbone interact. energy: -1.023
local terms energy: -86.164967
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -21.850
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: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -235.827200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.827200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.827200 (E_RNA)
where:
Base-Base interactions energy: -168.002
where: short stacking energy: -69.353
Base-Backbone interact. energy: -0.127
local terms energy: -67.698475
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -165.008332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.008332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.008332 (E_RNA)
where:
Base-Base interactions energy: -95.241
where: short stacking energy: -46.012
Base-Backbone interact. energy: -0.082
local terms energy: -69.685228
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -158.390836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.390836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.390836 (E_RNA)
where:
Base-Base interactions energy: -102.370
where: short stacking energy: -54.862
Base-Backbone interact. energy: -0.344
local terms energy: -55.676984
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -9.893
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: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -147.341400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.341400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.341400 (E_RNA)
where:
Base-Base interactions energy: -93.700
where: short stacking energy: -38.345
Base-Backbone interact. energy: -0.207
local terms energy: -53.434244
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -328.564456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.564456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.564456 (E_RNA)
where:
Base-Base interactions energy: -236.021
where: short stacking energy: -98.583
Base-Backbone interact. energy: -0.081
local terms energy: -92.462389
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -27.217
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: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -325.673899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.673899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.673899 (E_RNA)
where:
Base-Base interactions energy: -239.327
where: short stacking energy: -111.191
Base-Backbone interact. energy: 0.611
local terms energy: -86.958248
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -268.358642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.358642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.358642 (E_RNA)
where:
Base-Base interactions energy: -187.438
where: short stacking energy: -74.790
Base-Backbone interact. energy: -0.024
local terms energy: -80.896868
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -262.599268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.599268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.599268 (E_RNA)
where:
Base-Base interactions energy: -189.087
where: short stacking energy: -75.220
Base-Backbone interact. energy: -0.067
local terms energy: -73.444664
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -20.722
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: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -256.955497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.955497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.955497 (E_RNA)
where:
Base-Base interactions energy: -181.789
where: short stacking energy: -81.658
Base-Backbone interact. energy: 2.539
local terms energy: -77.705209
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -20.174
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: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -239.516318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.516318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.516318 (E_RNA)
where:
Base-Base interactions energy: -171.201
where: short stacking energy: -66.567
Base-Backbone interact. energy: -0.158
local terms energy: -68.157506
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -256.319272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.319272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.319272 (E_RNA)
where:
Base-Base interactions energy: -177.471
where: short stacking energy: -77.218
Base-Backbone interact. energy: -1.294
local terms energy: -77.553589
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -18.005
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: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -175.873409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.873409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.873409 (E_RNA)
where:
Base-Base interactions energy: -112.390
where: short stacking energy: -59.218
Base-Backbone interact. energy: -0.207
local terms energy: -63.276065
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -6.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -166.602827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.602827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.602827 (E_RNA)
where:
Base-Base interactions energy: -104.560
where: short stacking energy: -53.031
Base-Backbone interact. energy: -1.061
local terms energy: -60.982164
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -11.467
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: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -144.969751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.969751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.969751 (E_RNA)
where:
Base-Base interactions energy: -83.225
where: short stacking energy: -50.488
Base-Backbone interact. energy: -0.080
local terms energy: -61.664928
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -328.852643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.852643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.852643 (E_RNA)
where:
Base-Base interactions energy: -242.042
where: short stacking energy: -106.625
Base-Backbone interact. energy: -0.136
local terms energy: -86.674617
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -24.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -330.861229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.861229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.861229 (E_RNA)
where:
Base-Base interactions energy: -244.936
where: short stacking energy: -108.183
Base-Backbone interact. energy: -0.043
local terms energy: -85.882700
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -26.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -273.376223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.376223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.376223 (E_RNA)
where:
Base-Base interactions energy: -186.423
where: short stacking energy: -85.254
Base-Backbone interact. energy: -1.469
local terms energy: -85.483801
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -251.101773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.101773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.101773 (E_RNA)
where:
Base-Base interactions energy: -183.243
where: short stacking energy: -70.820
Base-Backbone interact. energy: -0.120
local terms energy: -67.738177
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -256.068941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.068941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.068941 (E_RNA)
where:
Base-Base interactions energy: -185.922
where: short stacking energy: -73.819
Base-Backbone interact. energy: -0.788
local terms energy: -69.359418
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -18.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -252.934364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.934364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.934364 (E_RNA)
where:
Base-Base interactions energy: -187.201
where: short stacking energy: -87.261
Base-Backbone interact. energy: -0.304
local terms energy: -65.429514
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -17.075
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: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -184.464940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.464940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.464940 (E_RNA)
where:
Base-Base interactions energy: -121.129
where: short stacking energy: -58.157
Base-Backbone interact. energy: -0.045
local terms energy: -63.290747
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -3.076
tors. eta vs tors. theta energy: -11.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -240.123738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.123738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.123738 (E_RNA)
where:
Base-Base interactions energy: -171.899
where: short stacking energy: -91.918
Base-Backbone interact. energy: -1.177
local terms energy: -67.047032
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -9.625
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -199.831412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.831412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.831412 (E_RNA)
where:
Base-Base interactions energy: -127.172
where: short stacking energy: -59.371
Base-Backbone interact. energy: -0.125
local terms energy: -72.534466
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -15.086
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: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -162.554722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.554722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.554722 (E_RNA)
where:
Base-Base interactions energy: -100.425
where: short stacking energy: -47.013
Base-Backbone interact. energy: 0.399
local terms energy: -62.528743
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -10.793
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: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -328.949883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.949883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.949883 (E_RNA)
where:
Base-Base interactions energy: -243.007
where: short stacking energy: -109.594
Base-Backbone interact. energy: -0.024
local terms energy: -85.919210
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -27.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -327.506725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.506725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.506725 (E_RNA)
where:
Base-Base interactions energy: -235.753
where: short stacking energy: -107.811
Base-Backbone interact. energy: -0.004
local terms energy: -91.749837
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -25.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -285.362195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.362195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.362195 (E_RNA)
where:
Base-Base interactions energy: -204.253
where: short stacking energy: -88.009
Base-Backbone interact. energy: -1.139
local terms energy: -79.970863
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -10.095
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: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -273.416608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.416608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.416608 (E_RNA)
where:
Base-Base interactions energy: -191.702
where: short stacking energy: -74.038
Base-Backbone interact. energy: 0.999
local terms energy: -82.713211
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -10.332
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: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -235.143433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.143433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.143433 (E_RNA)
where:
Base-Base interactions energy: -165.848
where: short stacking energy: -64.566
Base-Backbone interact. energy: -0.119
local terms energy: -69.177239
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -15.264
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: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -240.583272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.583272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.583272 (E_RNA)
where:
Base-Base interactions energy: -173.753
where: short stacking energy: -74.718
Base-Backbone interact. energy: 0.156
local terms energy: -66.986631
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -190.100695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.100695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.100695 (E_RNA)
where:
Base-Base interactions energy: -117.408
where: short stacking energy: -61.803
Base-Backbone interact. energy: -0.318
local terms energy: -72.374891
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -16.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -247.139526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.139526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.139526 (E_RNA)
where:
Base-Base interactions energy: -182.147
where: short stacking energy: -87.761
Base-Backbone interact. energy: 1.628
local terms energy: -66.619827
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -216.717052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.717052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.717052 (E_RNA)
where:
Base-Base interactions energy: -154.907
where: short stacking energy: -70.221
Base-Backbone interact. energy: -0.125
local terms energy: -61.685237
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -171.666754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.666754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.666754 (E_RNA)
where:
Base-Base interactions energy: -115.522
where: short stacking energy: -60.530
Base-Backbone interact. energy: -0.177
local terms energy: -55.966880
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -321.298950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.298950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.298950 (E_RNA)
where:
Base-Base interactions energy: -237.906
where: short stacking energy: -96.338
Base-Backbone interact. energy: -0.059
local terms energy: -83.333426
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -322.305713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.305713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.305713 (E_RNA)
where:
Base-Base interactions energy: -237.065
where: short stacking energy: -104.589
Base-Backbone interact. energy: -0.001
local terms energy: -85.239363
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -24.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -279.683287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.683287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.683287 (E_RNA)
where:
Base-Base interactions energy: -193.349
where: short stacking energy: -82.689
Base-Backbone interact. energy: -0.729
local terms energy: -85.605093
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -278.029118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.029118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.029118 (E_RNA)
where:
Base-Base interactions energy: -214.394
where: short stacking energy: -79.357
Base-Backbone interact. energy: 0.750
local terms energy: -64.385101
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -13.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -240.442283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.442283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.442283 (E_RNA)
where:
Base-Base interactions energy: -171.555
where: short stacking energy: -69.185
Base-Backbone interact. energy: -0.243
local terms energy: -68.644335
where:
bonds (distance) C4'-P energy: -8.685
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -12.735
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: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -251.549484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.549484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.549484 (E_RNA)
where:
Base-Base interactions energy: -181.467
where: short stacking energy: -73.226
Base-Backbone interact. energy: 1.140
local terms energy: -71.222721
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -11.505
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: 104
Temperature: 1.200000
Total energy: -246.169838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.169838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.169838 (E_RNA)
where:
Base-Base interactions energy: -175.169
where: short stacking energy: -87.318
Base-Backbone interact. energy: 1.904
local terms energy: -72.903945
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -172.490723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.490723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.490723 (E_RNA)
where:
Base-Base interactions energy: -106.219
where: short stacking energy: -50.797
Base-Backbone interact. energy: -0.178
local terms energy: -66.093251
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -7.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -274.194394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.194394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.194394 (E_RNA)
where:
Base-Base interactions energy: -200.360
where: short stacking energy: -82.649
Base-Backbone interact. energy: -0.117
local terms energy: -73.716811
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -176.555646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.555646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.555646 (E_RNA)
where:
Base-Base interactions energy: -109.601
where: short stacking energy: -36.773
Base-Backbone interact. energy: -0.448
local terms energy: -66.506245
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -326.219871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.219871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.219871 (E_RNA)
where:
Base-Base interactions energy: -237.103
where: short stacking energy: -98.951
Base-Backbone interact. energy: -0.217
local terms energy: -88.899959
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -319.151048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.151048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.151048 (E_RNA)
where:
Base-Base interactions energy: -229.106
where: short stacking energy: -101.419
Base-Backbone interact. energy: -0.010
local terms energy: -90.035969
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -277.921084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.921084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.921084 (E_RNA)
where:
Base-Base interactions energy: -193.805
where: short stacking energy: -91.750
Base-Backbone interact. energy: -0.010
local terms energy: -84.105490
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -273.433999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.433999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.433999 (E_RNA)
where:
Base-Base interactions energy: -199.081
where: short stacking energy: -71.633
Base-Backbone interact. energy: -1.592
local terms energy: -72.760654
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -253.921705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.921705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.921705 (E_RNA)
where:
Base-Base interactions energy: -190.045
where: short stacking energy: -89.035
Base-Backbone interact. energy: -0.051
local terms energy: -63.825938
where:
bonds (distance) C4'-P energy: -4.142
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -5.144
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: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -241.467166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.467166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.467166 (E_RNA)
where:
Base-Base interactions energy: -174.709
where: short stacking energy: -78.466
Base-Backbone interact. energy: -0.153
local terms energy: -66.605632
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -8.342
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: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -218.949678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.949678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.949678 (E_RNA)
where:
Base-Base interactions energy: -160.661
where: short stacking energy: -77.478
Base-Backbone interact. energy: 0.182
local terms energy: -58.471154
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -277.717371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.717371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.717371 (E_RNA)
where:
Base-Base interactions energy: -198.592
where: short stacking energy: -88.683
Base-Backbone interact. energy: -0.002
local terms energy: -79.123224
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -24.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -173.224460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.224460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.224460 (E_RNA)
where:
Base-Base interactions energy: -111.257
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.105
local terms energy: -61.862544
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -175.932462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.932462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.932462 (E_RNA)
where:
Base-Base interactions energy: -123.720
where: short stacking energy: -44.920
Base-Backbone interact. energy: -1.397
local terms energy: -50.814927
where:
bonds (distance) C4'-P energy: -6.874
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: -7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -329.900237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.900237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.900237 (E_RNA)
where:
Base-Base interactions energy: -242.344
where: short stacking energy: -109.407
Base-Backbone interact. energy: -0.002
local terms energy: -87.554502
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -24.716
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: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -321.948896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.948896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.948896 (E_RNA)
where:
Base-Base interactions energy: -238.651
where: short stacking energy: -99.145
Base-Backbone interact. energy: -0.036
local terms energy: -83.261781
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -22.870
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: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -285.620041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.620041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.620041 (E_RNA)
where:
Base-Base interactions energy: -205.036
where: short stacking energy: -93.450
Base-Backbone interact. energy: -1.278
local terms energy: -79.305798
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -19.997
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: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -269.595821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.595821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.595821 (E_RNA)
where:
Base-Base interactions energy: -186.062
where: short stacking energy: -73.707
Base-Backbone interact. energy: -0.264
local terms energy: -83.269509
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -12.052
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: 5, replica: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -250.961003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.961003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.961003 (E_RNA)
where:
Base-Base interactions energy: -176.076
where: short stacking energy: -83.019
Base-Backbone interact. energy: -0.018
local terms energy: -74.866202
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -232.250805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.250805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.250805 (E_RNA)
where:
Base-Base interactions energy: -155.656
where: short stacking energy: -63.453
Base-Backbone interact. energy: -0.120
local terms energy: -76.474549
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -288.345593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.345593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.345593 (E_RNA)
where:
Base-Base interactions energy: -204.640
where: short stacking energy: -81.144
Base-Backbone interact. energy: -0.003
local terms energy: -83.702656
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -200.656918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.656918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.656918 (E_RNA)
where:
Base-Base interactions energy: -130.800
where: short stacking energy: -75.234
Base-Backbone interact. energy: 0.703
local terms energy: -70.559664
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -12.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -166.017336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.017336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.017336 (E_RNA)
where:
Base-Base interactions energy: -104.107
where: short stacking energy: -58.420
Base-Backbone interact. energy: -0.764
local terms energy: -61.146697
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -151.452675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.452675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.452675 (E_RNA)
where:
Base-Base interactions energy: -105.501
where: short stacking energy: -52.725
Base-Backbone interact. energy: 0.746
local terms energy: -46.697415
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -7.903
flat angles C4'-P-C4' energy: -7.851
flat angles P-C4'-P energy: -7.615
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: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -323.644716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.644716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.644716 (E_RNA)
where:
Base-Base interactions energy: -239.369
where: short stacking energy: -106.469
Base-Backbone interact. energy: -0.002
local terms energy: -84.273358
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -24.339
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: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -321.950713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.950713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.950713 (E_RNA)
where:
Base-Base interactions energy: -232.592
where: short stacking energy: -105.755
Base-Backbone interact. energy: -0.195
local terms energy: -89.163342
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -24.167
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: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -282.096467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.096467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.096467 (E_RNA)
where:
Base-Base interactions energy: -201.609
where: short stacking energy: -94.867
Base-Backbone interact. energy: -0.130
local terms energy: -80.357360
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -14.718
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: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -283.033269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.033269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.033269 (E_RNA)
where:
Base-Base interactions energy: -211.176
where: short stacking energy: -78.089
Base-Backbone interact. energy: -0.200
local terms energy: -71.657431
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -10.617
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: 5, replica: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -251.889415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.889415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.889415 (E_RNA)
where:
Base-Base interactions energy: -176.131
where: short stacking energy: -74.401
Base-Backbone interact. energy: 0.140
local terms energy: -75.898527
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -290.892577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.892577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.892577 (E_RNA)
where:
Base-Base interactions energy: -195.573
where: short stacking energy: -90.679
Base-Backbone interact. energy: -0.000
local terms energy: -95.319729
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -25.122
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: 107
Temperature: 1.200000
Total energy: -229.656367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.656367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.656367 (E_RNA)
where:
Base-Base interactions energy: -159.040
where: short stacking energy: -69.239
Base-Backbone interact. energy: -0.011
local terms energy: -70.605553
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -168.222862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.222862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.222862 (E_RNA)
where:
Base-Base interactions energy: -104.507
where: short stacking energy: -57.501
Base-Backbone interact. energy: -0.090
local terms energy: -63.626182
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -193.677172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.677172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.677172 (E_RNA)
where:
Base-Base interactions energy: -130.336
where: short stacking energy: -65.747
Base-Backbone interact. energy: -0.078
local terms energy: -63.262710
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -14.761
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: 107
Temperature: 1.350000
Total energy: -117.551584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.551584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.551584 (E_RNA)
where:
Base-Base interactions energy: -54.302
where: short stacking energy: -34.083
Base-Backbone interact. energy: -0.230
local terms energy: -63.019564
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -326.099994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.099994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.099994 (E_RNA)
where:
Base-Base interactions energy: -236.994
where: short stacking energy: -102.495
Base-Backbone interact. energy: -0.035
local terms energy: -89.071522
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -25.939
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: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -320.051034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.051034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.051034 (E_RNA)
where:
Base-Base interactions energy: -238.260
where: short stacking energy: -99.861
Base-Backbone interact. energy: -0.013
local terms energy: -81.777823
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -22.110
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: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -287.635109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.635109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.635109 (E_RNA)
where:
Base-Base interactions energy: -208.260
where: short stacking energy: -80.487
Base-Backbone interact. energy: -0.100
local terms energy: -79.275350
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -15.167
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: 108
Temperature: 1.050000
Total energy: -280.213134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.213134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.213134 (E_RNA)
where:
Base-Base interactions energy: -208.309
where: short stacking energy: -87.169
Base-Backbone interact. energy: -0.369
local terms energy: -71.535896
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -7.051
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: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -301.489914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.489914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.489914 (E_RNA)
where:
Base-Base interactions energy: -213.511
where: short stacking energy: -98.103
Base-Backbone interact. energy: -0.004
local terms energy: -87.975181
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -21.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -245.741429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.741429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.741429 (E_RNA)
where:
Base-Base interactions energy: -171.188
where: short stacking energy: -81.021
Base-Backbone interact. energy: -0.212
local terms energy: -74.340710
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -15.550
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: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -232.591910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.591910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.591910 (E_RNA)
where:
Base-Base interactions energy: -166.201
where: short stacking energy: -59.686
Base-Backbone interact. energy: 1.493
local terms energy: -67.884285
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -174.176553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.176553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.176553 (E_RNA)
where:
Base-Base interactions energy: -113.218
where: short stacking energy: -63.069
Base-Backbone interact. energy: -0.136
local terms energy: -60.822460
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -202.618833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.618833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.618833 (E_RNA)
where:
Base-Base interactions energy: -134.439
where: short stacking energy: -67.605
Base-Backbone interact. energy: -0.484
local terms energy: -67.695474
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -4.429
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: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -114.084067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.084067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.084067 (E_RNA)
where:
Base-Base interactions energy: -58.466
where: short stacking energy: -42.627
Base-Backbone interact. energy: -0.538
local terms energy: -55.079446
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -2.282
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: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -326.767683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.767683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.767683 (E_RNA)
where:
Base-Base interactions energy: -236.106
where: short stacking energy: -105.780
Base-Backbone interact. energy: -0.000
local terms energy: -90.661348
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -25.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -293.499754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.499754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.499754 (E_RNA)
where:
Base-Base interactions energy: -214.248
where: short stacking energy: -83.433
Base-Backbone interact. energy: -2.569
local terms energy: -76.682535
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -15.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -330.297422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.297422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.297422 (E_RNA)
where:
Base-Base interactions energy: -244.599
where: short stacking energy: -109.982
Base-Backbone interact. energy: -0.003
local terms energy: -85.695041
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -20.774
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -276.349161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.349161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.349161 (E_RNA)
where:
Base-Base interactions energy: -184.755
where: short stacking energy: -76.264
Base-Backbone interact. energy: -1.035
local terms energy: -90.559031
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -20.233
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: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -308.125852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.125852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.125852 (E_RNA)
where:
Base-Base interactions energy: -216.881
where: short stacking energy: -102.082
Base-Backbone interact. energy: -0.063
local terms energy: -91.181939
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -25.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -249.121461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.121461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.121461 (E_RNA)
where:
Base-Base interactions energy: -170.117
where: short stacking energy: -75.065
Base-Backbone interact. energy: -0.029
local terms energy: -78.975529
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -15.645
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: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -238.792506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.792506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.792506 (E_RNA)
where:
Base-Base interactions energy: -159.856
where: short stacking energy: -69.709
Base-Backbone interact. energy: -1.066
local terms energy: -77.869715
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -204.057552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.057552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.057552 (E_RNA)
where:
Base-Base interactions energy: -135.181
where: short stacking energy: -70.080
Base-Backbone interact. energy: -0.081
local terms energy: -68.796085
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -172.757969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.757969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.757969 (E_RNA)
where:
Base-Base interactions energy: -111.805
where: short stacking energy: -64.516
Base-Backbone interact. energy: -0.039
local terms energy: -60.914447
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -6.266
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -9.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -107.883598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.883598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.883598 (E_RNA)
where:
Base-Base interactions energy: -45.997
where: short stacking energy: -40.099
Base-Backbone interact. energy: -1.103
local terms energy: -60.783688
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -9.804
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: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -320.184253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.184253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.184253 (E_RNA)
where:
Base-Base interactions energy: -237.916
where: short stacking energy: -103.351
Base-Backbone interact. energy: -0.491
local terms energy: -81.777438
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -290.547594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.547594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.547594 (E_RNA)
where:
Base-Base interactions energy: -208.674
where: short stacking energy: -83.058
Base-Backbone interact. energy: -0.772
local terms energy: -81.102085
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -303.070856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.070856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.070856 (E_RNA)
where:
Base-Base interactions energy: -215.724
where: short stacking energy: -102.982
Base-Backbone interact. energy: -0.044
local terms energy: -87.302466
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -23.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -280.571755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.571755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.571755 (E_RNA)
where:
Base-Base interactions energy: -198.605
where: short stacking energy: -88.304
Base-Backbone interact. energy: -1.357
local terms energy: -80.609978
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -307.931035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.931035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.931035 (E_RNA)
where:
Base-Base interactions energy: -221.945
where: short stacking energy: -103.189
Base-Backbone interact. energy: -0.158
local terms energy: -85.828664
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -245.027152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.027152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.027152 (E_RNA)
where:
Base-Base interactions energy: -171.091
where: short stacking energy: -72.157
Base-Backbone interact. energy: -0.504
local terms energy: -73.432402
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -7.758
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: 7, replica: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -236.025171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.025171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.025171 (E_RNA)
where:
Base-Base interactions energy: -156.319
where: short stacking energy: -65.568
Base-Backbone interact. energy: -0.095
local terms energy: -79.610958
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -215.138340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.138340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.138340 (E_RNA)
where:
Base-Base interactions energy: -145.975
where: short stacking energy: -68.373
Base-Backbone interact. energy: 0.697
local terms energy: -69.860142
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -10.705
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -161.031576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.031576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.031576 (E_RNA)
where:
Base-Base interactions energy: -95.227
where: short stacking energy: -50.043
Base-Backbone interact. energy: -0.184
local terms energy: -65.620136
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -11.384
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: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -108.151499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.151499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.151499 (E_RNA)
where:
Base-Base interactions energy: -47.660
where: short stacking energy: -39.651
Base-Backbone interact. energy: 0.532
local terms energy: -61.022736
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -10.602
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: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -318.012711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.012711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.012711 (E_RNA)
where:
Base-Base interactions energy: -232.556
where: short stacking energy: -101.732
Base-Backbone interact. energy: -0.320
local terms energy: -85.136332
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -297.456697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.456697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.456697 (E_RNA)
where:
Base-Base interactions energy: -216.339
where: short stacking energy: -80.795
Base-Backbone interact. energy: -1.127
local terms energy: -79.990872
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -11.677
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: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -304.114057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.114057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.114057 (E_RNA)
where:
Base-Base interactions energy: -220.800
where: short stacking energy: -100.076
Base-Backbone interact. energy: -0.282
local terms energy: -83.032607
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -23.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -302.615842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.615842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.615842 (E_RNA)
where:
Base-Base interactions energy: -222.081
where: short stacking energy: -99.498
Base-Backbone interact. energy: -0.414
local terms energy: -80.120533
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -26.538
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: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -262.991373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.991373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.991373 (E_RNA)
where:
Base-Base interactions energy: -184.641
where: short stacking energy: -82.074
Base-Backbone interact. energy: -0.010
local terms energy: -78.340094
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -233.829036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.829036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.829036 (E_RNA)
where:
Base-Base interactions energy: -167.847
where: short stacking energy: -72.588
Base-Backbone interact. energy: -0.108
local terms energy: -65.874131
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -10.864
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: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -232.757189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.757189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.757189 (E_RNA)
where:
Base-Base interactions energy: -164.378
where: short stacking energy: -73.709
Base-Backbone interact. energy: -0.009
local terms energy: -68.370349
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -224.846733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.846733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.846733 (E_RNA)
where:
Base-Base interactions energy: -156.666
where: short stacking energy: -74.772
Base-Backbone interact. energy: -0.001
local terms energy: -68.180143
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -19.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -175.663360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.663360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.663360 (E_RNA)
where:
Base-Base interactions energy: -132.358
where: short stacking energy: -65.143
Base-Backbone interact. energy: 1.534
local terms energy: -44.839360
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -0.465
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -126.095179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.095179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.095179 (E_RNA)
where:
Base-Base interactions energy: -61.387
where: short stacking energy: -49.739
Base-Backbone interact. energy: 1.422
local terms energy: -66.130538
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -313.824903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.824903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.824903 (E_RNA)
where:
Base-Base interactions energy: -222.436
where: short stacking energy: -103.870
Base-Backbone interact. energy: -0.009
local terms energy: -91.379376
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -23.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -304.506912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.506912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.506912 (E_RNA)
where:
Base-Base interactions energy: -229.124
where: short stacking energy: -88.571
Base-Backbone interact. energy: -2.083
local terms energy: -73.299787
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -8.926
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: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -304.946130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.946130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.946130 (E_RNA)
where:
Base-Base interactions energy: -218.227
where: short stacking energy: -89.593
Base-Backbone interact. energy: -0.020
local terms energy: -86.699480
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -23.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -302.800838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.800838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.800838 (E_RNA)
where:
Base-Base interactions energy: -209.522
where: short stacking energy: -94.738
Base-Backbone interact. energy: -0.430
local terms energy: -92.848204
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -24.007
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: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -240.717618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.717618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.717618 (E_RNA)
where:
Base-Base interactions energy: -164.044
where: short stacking energy: -67.466
Base-Backbone interact. energy: -0.140
local terms energy: -76.533236
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -254.310825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.310825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.310825 (E_RNA)
where:
Base-Base interactions energy: -172.051
where: short stacking energy: -96.965
Base-Backbone interact. energy: -0.085
local terms energy: -82.174347
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -23.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -233.714446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.714446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.714446 (E_RNA)
where:
Base-Base interactions energy: -159.980
where: short stacking energy: -79.834
Base-Backbone interact. energy: -0.088
local terms energy: -73.646253
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -198.242885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.242885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.242885 (E_RNA)
where:
Base-Base interactions energy: -123.433
where: short stacking energy: -64.573
Base-Backbone interact. energy: -0.004
local terms energy: -74.805959
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -16.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -167.977078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.977078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.977078 (E_RNA)
where:
Base-Base interactions energy: -98.272
where: short stacking energy: -58.181
Base-Backbone interact. energy: 0.486
local terms energy: -70.191646
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -101.308055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.308055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.308055 (E_RNA)
where:
Base-Base interactions energy: -42.695
where: short stacking energy: -38.902
Base-Backbone interact. energy: 0.063
local terms energy: -58.676514
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -8.261
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: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -313.188733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.188733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.188733 (E_RNA)
where:
Base-Base interactions energy: -225.177
where: short stacking energy: -107.830
Base-Backbone interact. energy: -0.012
local terms energy: -87.998940
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -24.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -322.917698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.917698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.917698 (E_RNA)
where:
Base-Base interactions energy: -237.746
where: short stacking energy: -100.293
Base-Backbone interact. energy: -0.064
local terms energy: -85.108071
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -25.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -299.872730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.872730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.872730 (E_RNA)
where:
Base-Base interactions energy: -226.064
where: short stacking energy: -85.666
Base-Backbone interact. energy: -1.715
local terms energy: -72.093403
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -303.780807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.780807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.780807 (E_RNA)
where:
Base-Base interactions energy: -216.570
where: short stacking energy: -103.136
Base-Backbone interact. energy: -0.240
local terms energy: -86.971061
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -234.164507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.164507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.164507 (E_RNA)
where:
Base-Base interactions energy: -164.909
where: short stacking energy: -59.848
Base-Backbone interact. energy: 1.672
local terms energy: -70.927639
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -7.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -251.916661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.916661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.916661 (E_RNA)
where:
Base-Base interactions energy: -179.094
where: short stacking energy: -88.794
Base-Backbone interact. energy: 0.861
local terms energy: -73.683812
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -14.884
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: 7, replica: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -234.929952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.929952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.929952 (E_RNA)
where:
Base-Base interactions energy: -155.162
where: short stacking energy: -83.943
Base-Backbone interact. energy: -0.240
local terms energy: -79.527709
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -170.309363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.309363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.309363 (E_RNA)
where:
Base-Base interactions energy: -105.037
where: short stacking energy: -54.599
Base-Backbone interact. energy: -0.557
local terms energy: -64.714688
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -7.593
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: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -221.552272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.552272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.552272 (E_RNA)
where:
Base-Base interactions energy: -151.807
where: short stacking energy: -79.940
Base-Backbone interact. energy: 0.591
local terms energy: -70.336694
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -21.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -105.228899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.228899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.228899 (E_RNA)
where:
Base-Base interactions energy: -40.079
where: short stacking energy: -34.729
Base-Backbone interact. energy: -0.236
local terms energy: -64.913847
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -332.111957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.111957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.111957 (E_RNA)
where:
Base-Base interactions energy: -244.311
where: short stacking energy: -101.223
Base-Backbone interact. energy: -0.021
local terms energy: -87.780350
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -25.350
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: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -316.248285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.248285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.248285 (E_RNA)
where:
Base-Base interactions energy: -223.417
where: short stacking energy: -106.543
Base-Backbone interact. energy: -0.090
local terms energy: -92.741239
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -301.065432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.065432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.065432 (E_RNA)
where:
Base-Base interactions energy: -216.076
where: short stacking energy: -86.228
Base-Backbone interact. energy: -0.048
local terms energy: -84.941608
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -293.831460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.831460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.831460 (E_RNA)
where:
Base-Base interactions energy: -215.751
where: short stacking energy: -79.475
Base-Backbone interact. energy: -0.746
local terms energy: -77.334203
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -15.475
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: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -247.547616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.547616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.547616 (E_RNA)
where:
Base-Base interactions energy: -171.375
where: short stacking energy: -72.715
Base-Backbone interact. energy: -0.007
local terms energy: -76.166054
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -14.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -230.441894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.441894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.441894 (E_RNA)
where:
Base-Base interactions energy: -163.719
where: short stacking energy: -72.187
Base-Backbone interact. energy: -0.004
local terms energy: -66.718429
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -6.133
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -220.248077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.248077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.248077 (E_RNA)
where:
Base-Base interactions energy: -150.357
where: short stacking energy: -79.727
Base-Backbone interact. energy: -0.035
local terms energy: -69.855683
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -6.698
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: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -179.986833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.986833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.986833 (E_RNA)
where:
Base-Base interactions energy: -105.876
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.550
local terms energy: -73.560637
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -15.256
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: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -196.834134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.834134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.834134 (E_RNA)
where:
Base-Base interactions energy: -129.072
where: short stacking energy: -67.816
Base-Backbone interact. energy: -0.392
local terms energy: -67.369933
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -114.924558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.924558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.924558 (E_RNA)
where:
Base-Base interactions energy: -64.551
where: short stacking energy: -31.786
Base-Backbone interact. energy: 0.903
local terms energy: -51.277406
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: 0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -330.926978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.926978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.926978 (E_RNA)
where:
Base-Base interactions energy: -242.669
where: short stacking energy: -105.898
Base-Backbone interact. energy: -0.203
local terms energy: -88.054577
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -25.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -303.357235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.357235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.357235 (E_RNA)
where:
Base-Base interactions energy: -219.440
where: short stacking energy: -92.958
Base-Backbone interact. energy: -0.073
local terms energy: -83.844546
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -22.442
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: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -305.718854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.718854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.718854 (E_RNA)
where:
Base-Base interactions energy: -222.888
where: short stacking energy: -101.556
Base-Backbone interact. energy: 1.859
local terms energy: -84.690251
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -21.729
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: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -284.488589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.488589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.488589 (E_RNA)
where:
Base-Base interactions energy: -198.529
where: short stacking energy: -76.899
Base-Backbone interact. energy: -0.388
local terms energy: -85.571266
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -15.303
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: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -255.817986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.817986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.817986 (E_RNA)
where:
Base-Base interactions energy: -174.941
where: short stacking energy: -79.017
Base-Backbone interact. energy: -0.078
local terms energy: -80.798941
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -18.128
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: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -246.756222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.756222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.756222 (E_RNA)
where:
Base-Base interactions energy: -172.037
where: short stacking energy: -63.669
Base-Backbone interact. energy: -0.190
local terms energy: -74.529145
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -13.404
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: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -213.988111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.988111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.988111 (E_RNA)
where:
Base-Base interactions energy: -145.640
where: short stacking energy: -72.379
Base-Backbone interact. energy: -0.040
local terms energy: -68.307942
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -207.488965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.488965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.488965 (E_RNA)
where:
Base-Base interactions energy: -142.635
where: short stacking energy: -64.064
Base-Backbone interact. energy: -0.516
local terms energy: -64.338004
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -168.524894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.524894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.524894 (E_RNA)
where:
Base-Base interactions energy: -114.589
where: short stacking energy: -49.766
Base-Backbone interact. energy: -0.108
local terms energy: -53.827825
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -160.878358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.878358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.878358 (E_RNA)
where:
Base-Base interactions energy: -97.631
where: short stacking energy: -51.975
Base-Backbone interact. energy: -0.006
local terms energy: -63.241341
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -308.950398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.950398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.950398 (E_RNA)
where:
Base-Base interactions energy: -221.466
where: short stacking energy: -100.590
Base-Backbone interact. energy: -0.099
local terms energy: -87.385420
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -20.264
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: 116
Temperature: 0.950000
Total energy: -321.690440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.690440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.690440 (E_RNA)
where:
Base-Base interactions energy: -234.733
where: short stacking energy: -100.084
Base-Backbone interact. energy: -0.016
local terms energy: -86.941944
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -24.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -286.927108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.927108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.927108 (E_RNA)
where:
Base-Base interactions energy: -209.535
where: short stacking energy: -77.824
Base-Backbone interact. energy: 0.970
local terms energy: -78.362479
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -17.906
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: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -305.592087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.592087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.592087 (E_RNA)
where:
Base-Base interactions energy: -214.643
where: short stacking energy: -99.558
Base-Backbone interact. energy: -0.186
local terms energy: -90.763380
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -20.098
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -24.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -238.780363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.780363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.780363 (E_RNA)
where:
Base-Base interactions energy: -176.536
where: short stacking energy: -68.067
Base-Backbone interact. energy: -0.151
local terms energy: -62.093980
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -246.251101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.251101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.251101 (E_RNA)
where:
Base-Base interactions energy: -174.309
where: short stacking energy: -77.028
Base-Backbone interact. energy: -0.110
local terms energy: -71.831806
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -228.683654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.683654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.683654 (E_RNA)
where:
Base-Base interactions energy: -155.523
where: short stacking energy: -65.780
Base-Backbone interact. energy: -0.818
local terms energy: -72.342165
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -200.560633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.560633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.560633 (E_RNA)
where:
Base-Base interactions energy: -132.691
where: short stacking energy: -68.347
Base-Backbone interact. energy: -0.063
local terms energy: -67.806541
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -165.108961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.108961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.108961 (E_RNA)
where:
Base-Base interactions energy: -99.400
where: short stacking energy: -52.096
Base-Backbone interact. energy: -0.472
local terms energy: -65.236169
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -9.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -154.123228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.123228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.123228 (E_RNA)
where:
Base-Base interactions energy: -92.972
where: short stacking energy: -47.122
Base-Backbone interact. energy: -0.214
local terms energy: -60.936368
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -6.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -302.468461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.468461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.468461 (E_RNA)
where:
Base-Base interactions energy: -219.167
where: short stacking energy: -91.191
Base-Backbone interact. energy: -0.086
local terms energy: -83.215283
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -20.434
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: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -316.837008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.837008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.837008 (E_RNA)
where:
Base-Base interactions energy: -235.419
where: short stacking energy: -102.553
Base-Backbone interact. energy: -0.329
local terms energy: -81.089253
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -291.205931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.205931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.205931 (E_RNA)
where:
Base-Base interactions energy: -209.361
where: short stacking energy: -76.598
Base-Backbone interact. energy: -1.183
local terms energy: -80.661624
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -12.758
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: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -315.086421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.086421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.086421 (E_RNA)
where:
Base-Base interactions energy: -227.222
where: short stacking energy: -99.635
Base-Backbone interact. energy: -0.042
local terms energy: -87.822426
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -26.322
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: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -268.370856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.370856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.370856 (E_RNA)
where:
Base-Base interactions energy: -202.115
where: short stacking energy: -82.237
Base-Backbone interact. energy: -0.262
local terms energy: -65.993767
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -11.537
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: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -243.411532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.411532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.411532 (E_RNA)
where:
Base-Base interactions energy: -167.376
where: short stacking energy: -73.389
Base-Backbone interact. energy: -0.078
local terms energy: -75.958030
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -18.835
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: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -214.646941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.646941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.646941 (E_RNA)
where:
Base-Base interactions energy: -133.902
where: short stacking energy: -55.399
Base-Backbone interact. energy: -1.763
local terms energy: -78.981402
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -16.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -173.777441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.777441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.777441 (E_RNA)
where:
Base-Base interactions energy: -112.998
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.057
local terms energy: -60.723015
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -9.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -167.393145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.393145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.393145 (E_RNA)
where:
Base-Base interactions energy: -97.450
where: short stacking energy: -43.409
Base-Backbone interact. energy: -0.380
local terms energy: -69.563361
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -160.472100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.472100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.472100 (E_RNA)
where:
Base-Base interactions energy: -99.758
where: short stacking energy: -49.414
Base-Backbone interact. energy: 0.554
local terms energy: -61.268763
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -326.319378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.319378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.319378 (E_RNA)
where:
Base-Base interactions energy: -242.934
where: short stacking energy: -99.781
Base-Backbone interact. energy: -0.318
local terms energy: -83.067728
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -23.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -305.818360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.818360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.818360 (E_RNA)
where:
Base-Base interactions energy: -214.999
where: short stacking energy: -89.834
Base-Backbone interact. energy: -0.217
local terms energy: -90.602577
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -303.371070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.371070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.371070 (E_RNA)
where:
Base-Base interactions energy: -217.458
where: short stacking energy: -94.745
Base-Backbone interact. energy: -0.012
local terms energy: -85.900964
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -284.688342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.688342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.688342 (E_RNA)
where:
Base-Base interactions energy: -204.937
where: short stacking energy: -74.666
Base-Backbone interact. energy: 0.835
local terms energy: -80.586787
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -13.497
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: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -262.038644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.038644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.038644 (E_RNA)
where:
Base-Base interactions energy: -180.860
where: short stacking energy: -81.398
Base-Backbone interact. energy: -0.346
local terms energy: -80.832377
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -241.343782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.343782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.343782 (E_RNA)
where:
Base-Base interactions energy: -170.687
where: short stacking energy: -74.681
Base-Backbone interact. energy: 0.444
local terms energy: -71.100852
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -15.502
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: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -199.101137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.101137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.101137 (E_RNA)
where:
Base-Base interactions energy: -132.084
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.181
local terms energy: -66.836216
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -196.345291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.345291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.345291 (E_RNA)
where:
Base-Base interactions energy: -125.178
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.923
local terms energy: -70.244627
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -161.322968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.322968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.322968 (E_RNA)
where:
Base-Base interactions energy: -105.320
where: short stacking energy: -60.964
Base-Backbone interact. energy: 0.697
local terms energy: -56.699658
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -7.727
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -143.437914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.437914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.437914 (E_RNA)
where:
Base-Base interactions energy: -93.508
where: short stacking energy: -52.815
Base-Backbone interact. energy: 0.277
local terms energy: -50.206605
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -10.071
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -327.939674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.939674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.939674 (E_RNA)
where:
Base-Base interactions energy: -247.935
where: short stacking energy: -106.415
Base-Backbone interact. energy: -0.255
local terms energy: -79.749974
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -24.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -309.735266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.735266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.735266 (E_RNA)
where:
Base-Base interactions energy: -220.493
where: short stacking energy: -98.267
Base-Backbone interact. energy: -0.057
local terms energy: -89.185995
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -22.275
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: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -297.542464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.542464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.542464 (E_RNA)
where:
Base-Base interactions energy: -213.826
where: short stacking energy: -88.846
Base-Backbone interact. energy: -0.107
local terms energy: -83.609694
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -21.028
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: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -260.677157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.677157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.677157 (E_RNA)
where:
Base-Base interactions energy: -189.260
where: short stacking energy: -85.359
Base-Backbone interact. energy: 1.142
local terms energy: -72.559358
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -18.199
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: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -288.132939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.132939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.132939 (E_RNA)
where:
Base-Base interactions energy: -210.962
where: short stacking energy: -84.725
Base-Backbone interact. energy: -1.245
local terms energy: -75.926012
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -247.812133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.812133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.812133 (E_RNA)
where:
Base-Base interactions energy: -178.719
where: short stacking energy: -67.279
Base-Backbone interact. energy: 2.492
local terms energy: -71.585467
where:
bonds (distance) C4'-P energy: -9.417
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -14.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -204.067125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.067125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.067125 (E_RNA)
where:
Base-Base interactions energy: -131.731
where: short stacking energy: -63.209
Base-Backbone interact. energy: -0.179
local terms energy: -72.157494
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -202.850251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.850251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.850251 (E_RNA)
where:
Base-Base interactions energy: -134.039
where: short stacking energy: -67.269
Base-Backbone interact. energy: -0.005
local terms energy: -68.806710
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -181.830580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.830580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.830580 (E_RNA)
where:
Base-Base interactions energy: -111.866
where: short stacking energy: -52.436
Base-Backbone interact. energy: -0.275
local terms energy: -69.689388
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -10.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -185.606403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.606403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.606403 (E_RNA)
where:
Base-Base interactions energy: -124.042
where: short stacking energy: -62.486
Base-Backbone interact. energy: 0.125
local terms energy: -61.689711
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -11.682
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: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -330.590796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.590796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.590796 (E_RNA)
where:
Base-Base interactions energy: -244.145
where: short stacking energy: -103.823
Base-Backbone interact. energy: 0.179
local terms energy: -86.624942
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -26.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -310.885552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.885552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.885552 (E_RNA)
where:
Base-Base interactions energy: -219.964
where: short stacking energy: -105.459
Base-Backbone interact. energy: -0.053
local terms energy: -90.868474
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -25.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -312.628954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.628954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.628954 (E_RNA)
where:
Base-Base interactions energy: -225.149
where: short stacking energy: -100.192
Base-Backbone interact. energy: -0.001
local terms energy: -87.479188
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -257.674102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.674102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.674102 (E_RNA)
where:
Base-Base interactions energy: -175.258
where: short stacking energy: -86.515
Base-Backbone interact. energy: 2.581
local terms energy: -84.996881
where:
bonds (distance) C4'-P energy: -20.258
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -15.812
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: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -279.789004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.789004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.789004 (E_RNA)
where:
Base-Base interactions energy: -198.821
where: short stacking energy: -76.351
Base-Backbone interact. energy: -0.268
local terms energy: -80.700015
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -16.803
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: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -237.460441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.460441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.460441 (E_RNA)
where:
Base-Base interactions energy: -163.294
where: short stacking energy: -76.680
Base-Backbone interact. energy: -0.091
local terms energy: -74.075418
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -217.461067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.461067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.461067 (E_RNA)
where:
Base-Base interactions energy: -143.042
where: short stacking energy: -73.853
Base-Backbone interact. energy: -1.960
local terms energy: -72.459070
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -18.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -195.912759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.912759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.912759 (E_RNA)
where:
Base-Base interactions energy: -134.782
where: short stacking energy: -68.657
Base-Backbone interact. energy: -0.237
local terms energy: -60.893162
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -5.812
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: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -197.846059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.846059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.846059 (E_RNA)
where:
Base-Base interactions energy: -128.514
where: short stacking energy: -72.009
Base-Backbone interact. energy: -0.578
local terms energy: -68.753288
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -172.917712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.917712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.917712 (E_RNA)
where:
Base-Base interactions energy: -107.544
where: short stacking energy: -59.960
Base-Backbone interact. energy: -0.331
local terms energy: -65.042359
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -7.253
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: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -326.142872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.142872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.142872 (E_RNA)
where:
Base-Base interactions energy: -240.510
where: short stacking energy: -103.762
Base-Backbone interact. energy: -0.005
local terms energy: -85.628408
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -24.102
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: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -312.829082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.829082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.829082 (E_RNA)
where:
Base-Base interactions energy: -219.867
where: short stacking energy: -106.046
Base-Backbone interact. energy: -0.018
local terms energy: -92.944523
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -24.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -303.392869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.392869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.392869 (E_RNA)
where:
Base-Base interactions energy: -211.368
where: short stacking energy: -94.467
Base-Backbone interact. energy: -0.005
local terms energy: -92.020281
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -24.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -285.736375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.736375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.736375 (E_RNA)
where:
Base-Base interactions energy: -210.376
where: short stacking energy: -84.516
Base-Backbone interact. energy: -1.676
local terms energy: -73.683530
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -16.978
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: 121
Temperature: 1.100000
Total energy: -244.340135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.340135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.340135 (E_RNA)
where:
Base-Base interactions energy: -171.476
where: short stacking energy: -73.544
Base-Backbone interact. energy: -0.675
local terms energy: -72.189371
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -4.638
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: 6, replica: 9
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -224.348542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.348542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.348542 (E_RNA)
where:
Base-Base interactions energy: -156.456
where: short stacking energy: -80.278
Base-Backbone interact. energy: -0.852
local terms energy: -67.040459
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -247.430510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.430510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.430510 (E_RNA)
where:
Base-Base interactions energy: -175.950
where: short stacking energy: -73.094
Base-Backbone interact. energy: -0.284
local terms energy: -71.197307
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -20.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -219.170841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.170841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.170841 (E_RNA)
where:
Base-Base interactions energy: -154.249
where: short stacking energy: -69.070
Base-Backbone interact. energy: -0.137
local terms energy: -64.784222
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -14.173
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: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -214.118470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.118470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.118470 (E_RNA)
where:
Base-Base interactions energy: -139.509
where: short stacking energy: -81.288
Base-Backbone interact. energy: -0.041
local terms energy: -74.568516
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -181.424870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.424870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.424870 (E_RNA)
where:
Base-Base interactions energy: -100.337
where: short stacking energy: -60.024
Base-Backbone interact. energy: -0.318
local terms energy: -80.769492
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -12.600
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: 1, replica: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -326.883655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.883655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.883655 (E_RNA)
where:
Base-Base interactions energy: -236.701
where: short stacking energy: -103.541
Base-Backbone interact. energy: -0.752
local terms energy: -89.430407
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -24.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -313.419314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.419314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.419314 (E_RNA)
where:
Base-Base interactions energy: -224.957
where: short stacking energy: -109.278
Base-Backbone interact. energy: -0.002
local terms energy: -88.460388
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -313.065008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.065008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.065008 (E_RNA)
where:
Base-Base interactions energy: -224.107
where: short stacking energy: -98.063
Base-Backbone interact. energy: -0.017
local terms energy: -88.941185
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -27.054
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: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -293.424256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.424256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.424256 (E_RNA)
where:
Base-Base interactions energy: -219.312
where: short stacking energy: -83.929
Base-Backbone interact. energy: -1.436
local terms energy: -72.676043
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -256.802975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.802975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.802975 (E_RNA)
where:
Base-Base interactions energy: -190.960
where: short stacking energy: -85.775
Base-Backbone interact. energy: 0.020
local terms energy: -65.863029
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -2.942
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -222.847641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.847641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.847641 (E_RNA)
where:
Base-Base interactions energy: -144.750
where: short stacking energy: -65.170
Base-Backbone interact. energy: -0.096
local terms energy: -78.001856
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -6.810
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: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -244.689019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.689019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.689019 (E_RNA)
where:
Base-Base interactions energy: -170.600
where: short stacking energy: -78.426
Base-Backbone interact. energy: 0.721
local terms energy: -74.809654
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -14.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -241.537010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.537010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.537010 (E_RNA)
where:
Base-Base interactions energy: -168.080
where: short stacking energy: -65.983
Base-Backbone interact. energy: -3.052
local terms energy: -70.404379
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -17.591
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: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -201.637155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.637155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.637155 (E_RNA)
where:
Base-Base interactions energy: -139.855
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.152
local terms energy: -61.630585
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -162.200198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.200198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.200198 (E_RNA)
where:
Base-Base interactions energy: -106.414
where: short stacking energy: -55.140
Base-Backbone interact. energy: -0.134
local terms energy: -55.652171
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -8.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -329.299050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.299050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.299050 (E_RNA)
where:
Base-Base interactions energy: -237.423
where: short stacking energy: -97.950
Base-Backbone interact. energy: -0.001
local terms energy: -91.874996
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -24.225
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: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -316.917701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.917701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.917701 (E_RNA)
where:
Base-Base interactions energy: -223.559
where: short stacking energy: -102.007
Base-Backbone interact. energy: -0.122
local terms energy: -93.236836
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -314.105342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.105342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.105342 (E_RNA)
where:
Base-Base interactions energy: -217.768
where: short stacking energy: -103.015
Base-Backbone interact. energy: -0.003
local terms energy: -96.333886
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -25.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -294.743428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.743428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.743428 (E_RNA)
where:
Base-Base interactions energy: -218.817
where: short stacking energy: -85.840
Base-Backbone interact. energy: -1.269
local terms energy: -74.657227
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -245.858506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.858506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.858506 (E_RNA)
where:
Base-Base interactions energy: -171.664
where: short stacking energy: -70.767
Base-Backbone interact. energy: -0.800
local terms energy: -73.394243
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -236.770037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.770037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.770037 (E_RNA)
where:
Base-Base interactions energy: -166.173
where: short stacking energy: -77.796
Base-Backbone interact. energy: -0.005
local terms energy: -70.592214
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -6.802
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: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -222.196210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.196210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.196210 (E_RNA)
where:
Base-Base interactions energy: -150.633
where: short stacking energy: -71.152
Base-Backbone interact. energy: -1.823
local terms energy: -69.740552
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -222.042635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.042635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.042635 (E_RNA)
where:
Base-Base interactions energy: -151.240
where: short stacking energy: -67.662
Base-Backbone interact. energy: 1.467
local terms energy: -72.269429
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -198.934708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.934708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.934708 (E_RNA)
where:
Base-Base interactions energy: -129.739
where: short stacking energy: -59.372
Base-Backbone interact. energy: -0.098
local terms energy: -69.097301
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -163.688026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.688026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.688026 (E_RNA)
where:
Base-Base interactions energy: -105.684
where: short stacking energy: -61.664
Base-Backbone interact. energy: 0.097
local terms energy: -58.101445
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -322.896682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.896682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.896682 (E_RNA)
where:
Base-Base interactions energy: -238.268
where: short stacking energy: -99.892
Base-Backbone interact. energy: -0.001
local terms energy: -84.627770
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -23.981
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: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -309.247904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.247904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.247904 (E_RNA)
where:
Base-Base interactions energy: -222.684
where: short stacking energy: -101.363
Base-Backbone interact. energy: -0.021
local terms energy: -86.542926
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -24.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -306.801785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.801785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.801785 (E_RNA)
where:
Base-Base interactions energy: -216.187
where: short stacking energy: -106.329
Base-Backbone interact. energy: -0.002
local terms energy: -90.612360
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -24.422
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: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -296.046837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.046837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.046837 (E_RNA)
where:
Base-Base interactions energy: -216.788
where: short stacking energy: -87.724
Base-Backbone interact. energy: -1.344
local terms energy: -77.914512
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -15.459
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: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -240.441738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.441738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.441738 (E_RNA)
where:
Base-Base interactions energy: -169.668
where: short stacking energy: -74.859
Base-Backbone interact. energy: 0.283
local terms energy: -71.056495
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -12.811
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: 6, replica: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -246.955224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.955224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.955224 (E_RNA)
where:
Base-Base interactions energy: -169.814
where: short stacking energy: -70.240
Base-Backbone interact. energy: -0.301
local terms energy: -76.839669
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -19.602
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -14.675
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: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -246.039789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.039789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.039789 (E_RNA)
where:
Base-Base interactions energy: -178.664
where: short stacking energy: -88.010
Base-Backbone interact. energy: 1.238
local terms energy: -68.613198
where:
bonds (distance) C4'-P energy: -4.113
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -193.829418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.829418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.829418 (E_RNA)
where:
Base-Base interactions energy: -133.418
where: short stacking energy: -71.127
Base-Backbone interact. energy: -0.354
local terms energy: -60.057188
where:
bonds (distance) C4'-P energy: -8.709
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -163.521924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.521924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.521924 (E_RNA)
where:
Base-Base interactions energy: -96.949
where: short stacking energy: -58.773
Base-Backbone interact. energy: -0.101
local terms energy: -66.472151
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -12.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -190.560205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.560205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.560205 (E_RNA)
where:
Base-Base interactions energy: -119.996
where: short stacking energy: -58.075
Base-Backbone interact. energy: 0.051
local terms energy: -70.614718
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -8.799
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: 6
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -310.146413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.146413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.146413 (E_RNA)
where:
Base-Base interactions energy: -216.838
where: short stacking energy: -97.310
Base-Backbone interact. energy: -1.001
local terms energy: -92.307415
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -26.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -311.862595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.862595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.862595 (E_RNA)
where:
Base-Base interactions energy: -225.933
where: short stacking energy: -105.497
Base-Backbone interact. energy: -0.002
local terms energy: -85.927394
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -24.798
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: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -307.371133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.371133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.371133 (E_RNA)
where:
Base-Base interactions energy: -217.323
where: short stacking energy: -90.656
Base-Backbone interact. energy: -0.002
local terms energy: -90.046768
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -287.343267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.343267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.343267 (E_RNA)
where:
Base-Base interactions energy: -210.769
where: short stacking energy: -73.263
Base-Backbone interact. energy: -0.310
local terms energy: -76.264098
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -13.415
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: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -261.294854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.294854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.294854 (E_RNA)
where:
Base-Base interactions energy: -192.166
where: short stacking energy: -80.230
Base-Backbone interact. energy: -0.286
local terms energy: -68.842975
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -232.161140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.161140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.161140 (E_RNA)
where:
Base-Base interactions energy: -175.350
where: short stacking energy: -68.453
Base-Backbone interact. energy: -0.826
local terms energy: -55.984460
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -233.735714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.735714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.735714 (E_RNA)
where:
Base-Base interactions energy: -158.140
where: short stacking energy: -66.690
Base-Backbone interact. energy: 0.166
local terms energy: -75.761502
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -188.699114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.699114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.699114 (E_RNA)
where:
Base-Base interactions energy: -121.292
where: short stacking energy: -62.836
Base-Backbone interact. energy: -0.015
local terms energy: -67.391435
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -3.554
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: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -163.996796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.996796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.996796 (E_RNA)
where:
Base-Base interactions energy: -106.948
where: short stacking energy: -54.001
Base-Backbone interact. energy: -0.194
local terms energy: -56.854253
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -7.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -208.539739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.539739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.539739 (E_RNA)
where:
Base-Base interactions energy: -145.397
where: short stacking energy: -59.021
Base-Backbone interact. energy: -0.043
local terms energy: -63.099776
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -10.099
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: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -320.919973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.919973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.919973 (E_RNA)
where:
Base-Base interactions energy: -237.163
where: short stacking energy: -112.613
Base-Backbone interact. energy: -0.013
local terms energy: -83.744554
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -26.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -314.186553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.186553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.186553 (E_RNA)
where:
Base-Base interactions energy: -222.548
where: short stacking energy: -92.751
Base-Backbone interact. energy: -0.560
local terms energy: -91.078618
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -24.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -301.831390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.831390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.831390 (E_RNA)
where:
Base-Base interactions energy: -218.087
where: short stacking energy: -96.780
Base-Backbone interact. energy: 0.000
local terms energy: -83.745221
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -12.009
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: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -288.438663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.438663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.438663 (E_RNA)
where:
Base-Base interactions energy: -208.853
where: short stacking energy: -81.639
Base-Backbone interact. energy: -1.397
local terms energy: -78.189258
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -19.102
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: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -258.780536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.780536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.780536 (E_RNA)
where:
Base-Base interactions energy: -189.656
where: short stacking energy: -78.331
Base-Backbone interact. energy: -0.481
local terms energy: -68.643952
where:
bonds (distance) C4'-P energy: -7.555
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -17.862
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: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -226.422349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.422349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.422349 (E_RNA)
where:
Base-Base interactions energy: -160.317
where: short stacking energy: -70.318
Base-Backbone interact. energy: 0.123
local terms energy: -66.228391
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -258.646534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.646534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.646534 (E_RNA)
where:
Base-Base interactions energy: -178.717
where: short stacking energy: -78.274
Base-Backbone interact. energy: -0.559
local terms energy: -79.369927
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -8.845
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: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -166.566853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.566853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.566853 (E_RNA)
where:
Base-Base interactions energy: -103.792
where: short stacking energy: -58.864
Base-Backbone interact. energy: 0.468
local terms energy: -63.242457
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -237.577689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.577689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.577689 (E_RNA)
where:
Base-Base interactions energy: -164.464
where: short stacking energy: -69.375
Base-Backbone interact. energy: -0.903
local terms energy: -72.209930
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -157.205777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.205777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.205777 (E_RNA)
where:
Base-Base interactions energy: -104.417
where: short stacking energy: -49.683
Base-Backbone interact. energy: -0.192
local terms energy: -52.596789
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -317.905244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.905244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.905244 (E_RNA)
where:
Base-Base interactions energy: -227.456
where: short stacking energy: -108.868
Base-Backbone interact. energy: -0.000
local terms energy: -90.448547
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -24.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -313.220430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.220430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.220430 (E_RNA)
where:
Base-Base interactions energy: -225.008
where: short stacking energy: -107.749
Base-Backbone interact. energy: -0.004
local terms energy: -88.207932
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -26.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -306.863359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.863359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.863359 (E_RNA)
where:
Base-Base interactions energy: -217.158
where: short stacking energy: -91.229
Base-Backbone interact. energy: -0.058
local terms energy: -89.646981
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -22.820
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: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -269.809952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.809952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.809952 (E_RNA)
where:
Base-Base interactions energy: -188.097
where: short stacking energy: -86.159
Base-Backbone interact. energy: -0.277
local terms energy: -81.436125
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -273.349722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.349722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.349722 (E_RNA)
where:
Base-Base interactions energy: -201.354
where: short stacking energy: -79.503
Base-Backbone interact. energy: 0.002
local terms energy: -71.997527
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -254.382268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.382268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.382268 (E_RNA)
where:
Base-Base interactions energy: -186.181
where: short stacking energy: -70.862
Base-Backbone interact. energy: -0.092
local terms energy: -68.109294
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -15.254
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: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -228.567402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.567402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.567402 (E_RNA)
where:
Base-Base interactions energy: -162.571
where: short stacking energy: -64.192
Base-Backbone interact. energy: -0.012
local terms energy: -65.983707
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -1.437
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -230.636082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.636082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.636082 (E_RNA)
where:
Base-Base interactions energy: -165.192
where: short stacking energy: -80.624
Base-Backbone interact. energy: -0.782
local terms energy: -64.662806
where:
bonds (distance) C4'-P energy: -8.262
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -178.667992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.667992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.667992 (E_RNA)
where:
Base-Base interactions energy: -114.016
where: short stacking energy: -45.732
Base-Backbone interact. energy: 0.860
local terms energy: -65.511995
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -9.568
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: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -177.222885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.222885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.222885 (E_RNA)
where:
Base-Base interactions energy: -126.991
where: short stacking energy: -46.410
Base-Backbone interact. energy: -0.748
local terms energy: -49.484126
where:
bonds (distance) C4'-P energy: -8.460
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -314.087835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.087835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.087835 (E_RNA)
where:
Base-Base interactions energy: -220.893
where: short stacking energy: -98.409
Base-Backbone interact. energy: -0.002
local terms energy: -93.192754
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -25.722
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: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -310.289218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.289218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.289218 (E_RNA)
where:
Base-Base interactions energy: -221.558
where: short stacking energy: -93.481
Base-Backbone interact. energy: -0.001
local terms energy: -88.730249
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -301.892740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.892740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.892740 (E_RNA)
where:
Base-Base interactions energy: -219.855
where: short stacking energy: -84.355
Base-Backbone interact. energy: -0.312
local terms energy: -81.725466
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -22.922
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: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -264.831475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.831475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.831475 (E_RNA)
where:
Base-Base interactions energy: -177.048
where: short stacking energy: -77.695
Base-Backbone interact. energy: -0.880
local terms energy: -86.903905
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -282.888142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.888142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.888142 (E_RNA)
where:
Base-Base interactions energy: -204.780
where: short stacking energy: -85.403
Base-Backbone interact. energy: -2.969
local terms energy: -75.138997
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -240.017348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.017348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.017348 (E_RNA)
where:
Base-Base interactions energy: -165.832
where: short stacking energy: -73.079
Base-Backbone interact. energy: -0.345
local terms energy: -73.840323
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -9.917
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: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -232.844728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.844728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.844728 (E_RNA)
where:
Base-Base interactions energy: -159.614
where: short stacking energy: -70.267
Base-Backbone interact. energy: -0.215
local terms energy: -73.015621
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -225.456334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.456334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.456334 (E_RNA)
where:
Base-Base interactions energy: -155.892
where: short stacking energy: -65.275
Base-Backbone interact. energy: 0.628
local terms energy: -70.192142
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -188.428055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.428055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.428055 (E_RNA)
where:
Base-Base interactions energy: -118.361
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.183
local terms energy: -69.883948
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -182.033923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.033923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.033923 (E_RNA)
where:
Base-Base interactions energy: -115.664
where: short stacking energy: -64.408
Base-Backbone interact. energy: -0.249
local terms energy: -66.120994
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -17.731
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: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -324.632717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.632717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.632717 (E_RNA)
where:
Base-Base interactions energy: -237.333
where: short stacking energy: -106.896
Base-Backbone interact. energy: -0.221
local terms energy: -87.079247
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -316.590104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.590104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.590104 (E_RNA)
where:
Base-Base interactions energy: -220.280
where: short stacking energy: -105.173
Base-Backbone interact. energy: 0.053
local terms energy: -96.363490
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -26.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -290.384573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.384573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.384573 (E_RNA)
where:
Base-Base interactions energy: -210.427
where: short stacking energy: -85.528
Base-Backbone interact. energy: -0.033
local terms energy: -79.924581
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -20.872
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: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -279.450486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.450486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.450486 (E_RNA)
where:
Base-Base interactions energy: -212.362
where: short stacking energy: -69.173
Base-Backbone interact. energy: -0.461
local terms energy: -66.627383
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -268.799500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.799500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.799500 (E_RNA)
where:
Base-Base interactions energy: -190.683
where: short stacking energy: -77.368
Base-Backbone interact. energy: -0.382
local terms energy: -77.733809
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -250.677936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.677936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.677936 (E_RNA)
where:
Base-Base interactions energy: -172.241
where: short stacking energy: -77.134
Base-Backbone interact. energy: -0.083
local terms energy: -78.354061
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -235.826936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.826936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.826936 (E_RNA)
where:
Base-Base interactions energy: -167.110
where: short stacking energy: -69.282
Base-Backbone interact. energy: -0.102
local terms energy: -68.615376
where:
bonds (distance) C4'-P energy: -7.778
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -19.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -257.381938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.381938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.381938 (E_RNA)
where:
Base-Base interactions energy: -181.103
where: short stacking energy: -73.829
Base-Backbone interact. energy: -0.158
local terms energy: -76.119945
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -167.911962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.911962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.911962 (E_RNA)
where:
Base-Base interactions energy: -110.127
where: short stacking energy: -56.791
Base-Backbone interact. energy: -0.145
local terms energy: -57.640415
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -7.045
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: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -174.541112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.541112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.541112 (E_RNA)
where:
Base-Base interactions energy: -112.468
where: short stacking energy: -60.011
Base-Backbone interact. energy: -0.339
local terms energy: -61.734093
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -7.690
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: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -321.156682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.156682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.156682 (E_RNA)
where:
Base-Base interactions energy: -229.474
where: short stacking energy: -101.297
Base-Backbone interact. energy: -0.044
local terms energy: -91.638787
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -27.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -317.114977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.114977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.114977 (E_RNA)
where:
Base-Base interactions energy: -229.342
where: short stacking energy: -95.232
Base-Backbone interact. energy: -0.052
local terms energy: -87.721181
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -25.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -299.378109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.378109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.378109 (E_RNA)
where:
Base-Base interactions energy: -206.611
where: short stacking energy: -80.922
Base-Backbone interact. energy: -1.673
local terms energy: -91.094290
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -19.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -299.684068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.684068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.684068 (E_RNA)
where:
Base-Base interactions energy: -217.542
where: short stacking energy: -96.950
Base-Backbone interact. energy: -0.007
local terms energy: -82.134914
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -22.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -268.726430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.726430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.726430 (E_RNA)
where:
Base-Base interactions energy: -185.996
where: short stacking energy: -81.150
Base-Backbone interact. energy: -0.174
local terms energy: -82.556887
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -19.326
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: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -250.522137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.522137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.522137 (E_RNA)
where:
Base-Base interactions energy: -171.539
where: short stacking energy: -79.967
Base-Backbone interact. energy: -0.023
local terms energy: -78.959857
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -248.254438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.254438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.254438 (E_RNA)
where:
Base-Base interactions energy: -182.489
where: short stacking energy: -68.585
Base-Backbone interact. energy: 1.125
local terms energy: -66.890818
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -223.315050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.315050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.315050 (E_RNA)
where:
Base-Base interactions energy: -155.904
where: short stacking energy: -66.394
Base-Backbone interact. energy: -0.440
local terms energy: -66.971403
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -18.269
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: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -178.639116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.639116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.639116 (E_RNA)
where:
Base-Base interactions energy: -103.694
where: short stacking energy: -63.312
Base-Backbone interact. energy: -0.082
local terms energy: -74.863277
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -171.156570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.156570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.156570 (E_RNA)
where:
Base-Base interactions energy: -114.480
where: short stacking energy: -45.930
Base-Backbone interact. energy: -0.689
local terms energy: -55.987564
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -319.397989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.397989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.397989 (E_RNA)
where:
Base-Base interactions energy: -228.586
where: short stacking energy: -107.333
Base-Backbone interact. energy: 0.093
local terms energy: -90.905308
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -24.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -311.489947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.489947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.489947 (E_RNA)
where:
Base-Base interactions energy: -217.385
where: short stacking energy: -101.641
Base-Backbone interact. energy: -0.004
local terms energy: -94.100221
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -25.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -284.979506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.979506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.979506 (E_RNA)
where:
Base-Base interactions energy: -202.292
where: short stacking energy: -81.620
Base-Backbone interact. energy: -0.667
local terms energy: -82.020037
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -16.930
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: 4, replica: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -276.522755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.522755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.522755 (E_RNA)
where:
Base-Base interactions energy: -202.450
where: short stacking energy: -82.915
Base-Backbone interact. energy: -0.328
local terms energy: -73.744708
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -18.919
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: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -295.867750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.867750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.867750 (E_RNA)
where:
Base-Base interactions energy: -208.557
where: short stacking energy: -98.936
Base-Backbone interact. energy: 0.088
local terms energy: -87.398526
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -24.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -255.382709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.382709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.382709 (E_RNA)
where:
Base-Base interactions energy: -184.841
where: short stacking energy: -72.304
Base-Backbone interact. energy: -0.810
local terms energy: -69.731498
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -236.078135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.078135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.078135 (E_RNA)
where:
Base-Base interactions energy: -161.345
where: short stacking energy: -65.451
Base-Backbone interact. energy: -0.383
local terms energy: -74.349877
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -231.506202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.506202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.506202 (E_RNA)
where:
Base-Base interactions energy: -162.780
where: short stacking energy: -66.210
Base-Backbone interact. energy: -0.004
local terms energy: -68.723014
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -8.935
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: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -221.216682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.216682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.216682 (E_RNA)
where:
Base-Base interactions energy: -149.518
where: short stacking energy: -51.672
Base-Backbone interact. energy: -0.107
local terms energy: -71.591805
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -166.235049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.235049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.235049 (E_RNA)
where:
Base-Base interactions energy: -99.953
where: short stacking energy: -54.372
Base-Backbone interact. energy: -0.787
local terms energy: -65.494779
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -322.603906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.603906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.603906 (E_RNA)
where:
Base-Base interactions energy: -232.060
where: short stacking energy: -108.045
Base-Backbone interact. energy: -0.497
local terms energy: -90.047115
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -24.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -307.530145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.530145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.530145 (E_RNA)
where:
Base-Base interactions energy: -227.827
where: short stacking energy: -100.390
Base-Backbone interact. energy: -0.584
local terms energy: -79.118628
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -278.326120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.326120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.326120 (E_RNA)
where:
Base-Base interactions energy: -201.617
where: short stacking energy: -80.444
Base-Backbone interact. energy: -0.227
local terms energy: -76.482552
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -291.466420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.466420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.466420 (E_RNA)
where:
Base-Base interactions energy: -220.177
where: short stacking energy: -77.988
Base-Backbone interact. energy: 1.313
local terms energy: -72.602419
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -252.559866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.559866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.559866 (E_RNA)
where:
Base-Base interactions energy: -180.034
where: short stacking energy: -65.773
Base-Backbone interact. energy: -0.907
local terms energy: -71.618739
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -10.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -297.183997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.183997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.183997 (E_RNA)
where:
Base-Base interactions energy: -216.905
where: short stacking energy: -106.520
Base-Backbone interact. energy: -0.453
local terms energy: -79.825655
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -25.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -237.716652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.716652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.716652 (E_RNA)
where:
Base-Base interactions energy: -173.431
where: short stacking energy: -73.454
Base-Backbone interact. energy: 0.682
local terms energy: -64.967311
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -14.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -235.150420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.150420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.150420 (E_RNA)
where:
Base-Base interactions energy: -162.268
where: short stacking energy: -75.553
Base-Backbone interact. energy: -0.005
local terms energy: -72.876965
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -227.542005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.542005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.542005 (E_RNA)
where:
Base-Base interactions energy: -161.499
where: short stacking energy: -64.133
Base-Backbone interact. energy: -0.327
local terms energy: -65.716005
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -176.348021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.348021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.348021 (E_RNA)
where:
Base-Base interactions energy: -108.766
where: short stacking energy: -53.253
Base-Backbone interact. energy: -0.001
local terms energy: -67.581451
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -15.213
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: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -323.565723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.565723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.565723 (E_RNA)
where:
Base-Base interactions energy: -237.033
where: short stacking energy: -105.482
Base-Backbone interact. energy: -0.004
local terms energy: -86.528551
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -25.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -286.806479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.806479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.806479 (E_RNA)
where:
Base-Base interactions energy: -215.353
where: short stacking energy: -82.800
Base-Backbone interact. energy: 0.394
local terms energy: -71.847386
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -17.006
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: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -295.165881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.165881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.165881 (E_RNA)
where:
Base-Base interactions energy: -209.437
where: short stacking energy: -92.647
Base-Backbone interact. energy: -0.206
local terms energy: -85.522512
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -24.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -300.318266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.318266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.318266 (E_RNA)
where:
Base-Base interactions energy: -221.500
where: short stacking energy: -75.867
Base-Backbone interact. energy: -0.685
local terms energy: -78.133558
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -251.862789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.862789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.862789 (E_RNA)
where:
Base-Base interactions energy: -188.851
where: short stacking energy: -75.596
Base-Backbone interact. energy: -0.858
local terms energy: -62.153859
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -297.975235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.975235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.975235 (E_RNA)
where:
Base-Base interactions energy: -211.102
where: short stacking energy: -101.753
Base-Backbone interact. energy: -0.011
local terms energy: -86.862687
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -237.461290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.461290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.461290 (E_RNA)
where:
Base-Base interactions energy: -161.058
where: short stacking energy: -73.965
Base-Backbone interact. energy: -0.300
local terms energy: -76.102986
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -235.713106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.713106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.713106 (E_RNA)
where:
Base-Base interactions energy: -164.713
where: short stacking energy: -75.390
Base-Backbone interact. energy: -0.166
local terms energy: -70.834482
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -238.639134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.639134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.639134 (E_RNA)
where:
Base-Base interactions energy: -165.565
where: short stacking energy: -77.545
Base-Backbone interact. energy: -0.097
local terms energy: -72.977366
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -15.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -158.735048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.735048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.735048 (E_RNA)
where:
Base-Base interactions energy: -100.279
where: short stacking energy: -48.990
Base-Backbone interact. energy: -0.139
local terms energy: -58.316434
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -10.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -317.611470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.611470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.611470 (E_RNA)
where:
Base-Base interactions energy: -228.659
where: short stacking energy: -108.580
Base-Backbone interact. energy: -0.015
local terms energy: -88.937409
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -25.390
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: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -282.292799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.292799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.292799 (E_RNA)
where:
Base-Base interactions energy: -200.632
where: short stacking energy: -86.589
Base-Backbone interact. energy: -0.209
local terms energy: -81.452242
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -12.194
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: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -297.054871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.054871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.054871 (E_RNA)
where:
Base-Base interactions energy: -230.864
where: short stacking energy: -78.334
Base-Backbone interact. energy: -0.569
local terms energy: -65.622728
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -1.123
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -301.992930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.992930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.992930 (E_RNA)
where:
Base-Base interactions energy: -217.643
where: short stacking energy: -93.107
Base-Backbone interact. energy: 0.320
local terms energy: -84.669505
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -23.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -300.760090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.760090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.760090 (E_RNA)
where:
Base-Base interactions energy: -217.914
where: short stacking energy: -98.314
Base-Backbone interact. energy: -0.003
local terms energy: -82.843752
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -255.909838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.909838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.909838 (E_RNA)
where:
Base-Base interactions energy: -184.909
where: short stacking energy: -64.194
Base-Backbone interact. energy: -0.534
local terms energy: -70.466860
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -246.289009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.289009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.289009 (E_RNA)
where:
Base-Base interactions energy: -177.556
where: short stacking energy: -76.283
Base-Backbone interact. energy: -0.368
local terms energy: -68.365259
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -12.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -231.616876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.616876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.616876 (E_RNA)
where:
Base-Base interactions energy: -164.728
where: short stacking energy: -60.839
Base-Backbone interact. energy: 0.275
local terms energy: -67.163774
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -11.591
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: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -223.661603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.661603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.661603 (E_RNA)
where:
Base-Base interactions energy: -151.972
where: short stacking energy: -69.290
Base-Backbone interact. energy: -0.094
local terms energy: -71.595389
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -165.255601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.255601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.255601 (E_RNA)
where:
Base-Base interactions energy: -102.556
where: short stacking energy: -57.646
Base-Backbone interact. energy: -0.155
local terms energy: -62.544168
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -9.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -321.574651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.574651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.574651 (E_RNA)
where:
Base-Base interactions energy: -230.483
where: short stacking energy: -102.752
Base-Backbone interact. energy: -0.003
local terms energy: -91.088996
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -26.599
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: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -302.708057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.708057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.708057 (E_RNA)
where:
Base-Base interactions energy: -224.336
where: short stacking energy: -83.575
Base-Backbone interact. energy: 0.085
local terms energy: -78.457267
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -290.254589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.254589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.254589 (E_RNA)
where:
Base-Base interactions energy: -209.890
where: short stacking energy: -89.332
Base-Backbone interact. energy: -0.217
local terms energy: -80.147299
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -298.245371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.245371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.245371 (E_RNA)
where:
Base-Base interactions energy: -210.430
where: short stacking energy: -101.424
Base-Backbone interact. energy: 0.333
local terms energy: -88.147992
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -23.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -296.273275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.273275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.273275 (E_RNA)
where:
Base-Base interactions energy: -214.226
where: short stacking energy: -98.324
Base-Backbone interact. energy: -0.003
local terms energy: -82.044459
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -24.049
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: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -242.926452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.926452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.926452 (E_RNA)
where:
Base-Base interactions energy: -174.434
where: short stacking energy: -79.242
Base-Backbone interact. energy: -0.118
local terms energy: -68.374479
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -238.895488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.895488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.895488 (E_RNA)
where:
Base-Base interactions energy: -167.249
where: short stacking energy: -61.521
Base-Backbone interact. energy: -0.381
local terms energy: -71.265289
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -12.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -228.928001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.928001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.928001 (E_RNA)
where:
Base-Base interactions energy: -154.617
where: short stacking energy: -67.434
Base-Backbone interact. energy: -0.118
local terms energy: -74.193478
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -13.733
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: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -226.711143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.711143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.711143 (E_RNA)
where:
Base-Base interactions energy: -159.816
where: short stacking energy: -77.291
Base-Backbone interact. energy: -0.226
local terms energy: -66.668805
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -10.067
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: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -172.478712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.478712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.478712 (E_RNA)
where:
Base-Base interactions energy: -111.518
where: short stacking energy: -45.044
Base-Backbone interact. energy: -0.496
local terms energy: -60.465203
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -9.710
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: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -317.024267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.024267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.024267 (E_RNA)
where:
Base-Base interactions energy: -227.486
where: short stacking energy: -98.776
Base-Backbone interact. energy: -0.005
local terms energy: -89.533600
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -25.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -300.364764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.364764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.364764 (E_RNA)
where:
Base-Base interactions energy: -228.428
where: short stacking energy: -77.697
Base-Backbone interact. energy: -0.462
local terms energy: -71.474618
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -7.976
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: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -311.114662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.114662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.114662 (E_RNA)
where:
Base-Base interactions energy: -225.221
where: short stacking energy: -98.040
Base-Backbone interact. energy: -0.004
local terms energy: -85.889337
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -22.620
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: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -271.664440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.664440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.664440 (E_RNA)
where:
Base-Base interactions energy: -191.464
where: short stacking energy: -90.135
Base-Backbone interact. energy: -0.176
local terms energy: -80.024645
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -298.253997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.253997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.253997 (E_RNA)
where:
Base-Base interactions energy: -215.954
where: short stacking energy: -95.938
Base-Backbone interact. energy: -0.056
local terms energy: -82.244520
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -25.100
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: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -240.435114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.435114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.435114 (E_RNA)
where:
Base-Base interactions energy: -160.515
where: short stacking energy: -68.789
Base-Backbone interact. energy: -1.517
local terms energy: -78.402503
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -246.608166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.608166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.608166 (E_RNA)
where:
Base-Base interactions energy: -186.950
where: short stacking energy: -80.532
Base-Backbone interact. energy: -0.711
local terms energy: -58.947135
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -4.077
tors. eta vs tors. theta energy: -11.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -220.015363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.015363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.015363 (E_RNA)
where:
Base-Base interactions energy: -149.439
where: short stacking energy: -67.142
Base-Backbone interact. energy: -0.087
local terms energy: -70.489100
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -221.588173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.588173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.588173 (E_RNA)
where:
Base-Base interactions energy: -156.936
where: short stacking energy: -64.479
Base-Backbone interact. energy: -0.027
local terms energy: -64.625447
where:
bonds (distance) C4'-P energy: -7.944
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -14.638
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: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -166.520913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.520913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.520913 (E_RNA)
where:
Base-Base interactions energy: -99.116
where: short stacking energy: -47.858
Base-Backbone interact. energy: -1.357
local terms energy: -66.048834
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -7.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -313.927437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.927437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.927437 (E_RNA)
where:
Base-Base interactions energy: -224.782
where: short stacking energy: -99.163
Base-Backbone interact. energy: -0.002
local terms energy: -89.143974
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -24.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -316.271432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.271432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.271432 (E_RNA)
where:
Base-Base interactions energy: -227.087
where: short stacking energy: -103.314
Base-Backbone interact. energy: -0.001
local terms energy: -89.182590
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -24.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -294.835301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.835301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.835301 (E_RNA)
where:
Base-Base interactions energy: -220.676
where: short stacking energy: -80.300
Base-Backbone interact. energy: -0.471
local terms energy: -73.688060
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -6.736
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: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -296.828773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.828773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.828773 (E_RNA)
where:
Base-Base interactions energy: -212.067
where: short stacking energy: -93.356
Base-Backbone interact. energy: -0.031
local terms energy: -84.731161
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -22.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -276.557411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.557411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.557411 (E_RNA)
where:
Base-Base interactions energy: -191.985
where: short stacking energy: -86.901
Base-Backbone interact. energy: 0.340
local terms energy: -84.912026
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -240.309861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.309861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.309861 (E_RNA)
where:
Base-Base interactions energy: -174.202
where: short stacking energy: -72.678
Base-Backbone interact. energy: -0.146
local terms energy: -65.961333
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -241.405700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.405700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.405700 (E_RNA)
where:
Base-Base interactions energy: -168.849
where: short stacking energy: -62.358
Base-Backbone interact. energy: -0.766
local terms energy: -71.791575
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -228.904529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.904529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.904529 (E_RNA)
where:
Base-Base interactions energy: -157.101
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.587
local terms energy: -71.216814
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.962
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: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -216.407439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.407439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.407439 (E_RNA)
where:
Base-Base interactions energy: -140.905
where: short stacking energy: -63.620
Base-Backbone interact. energy: -0.820
local terms energy: -74.682307
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -158.377274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.377274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.377274 (E_RNA)
where:
Base-Base interactions energy: -97.769
where: short stacking energy: -53.360
Base-Backbone interact. energy: 0.510
local terms energy: -61.118356
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -4.999
tors. eta vs tors. theta energy: -6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -321.050024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.050024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.050024 (E_RNA)
where:
Base-Base interactions energy: -239.992
where: short stacking energy: -104.512
Base-Backbone interact. energy: -0.019
local terms energy: -81.039518
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -24.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -318.303917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.303917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.303917 (E_RNA)
where:
Base-Base interactions energy: -228.043
where: short stacking energy: -90.182
Base-Backbone interact. energy: -0.003
local terms energy: -90.258330
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -25.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -305.844266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.844266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.844266 (E_RNA)
where:
Base-Base interactions energy: -217.954
where: short stacking energy: -99.375
Base-Backbone interact. energy: -0.001
local terms energy: -87.889679
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -23.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -279.261371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.261371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.261371 (E_RNA)
where:
Base-Base interactions energy: -200.633
where: short stacking energy: -83.020
Base-Backbone interact. energy: -1.149
local terms energy: -77.479732
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -9.730
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: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -262.001617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.001617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.001617 (E_RNA)
where:
Base-Base interactions energy: -186.889
where: short stacking energy: -74.608
Base-Backbone interact. energy: -0.082
local terms energy: -75.030621
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -261.977623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.977623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.977623 (E_RNA)
where:
Base-Base interactions energy: -190.140
where: short stacking energy: -83.065
Base-Backbone interact. energy: -0.397
local terms energy: -71.440891
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -7.492
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: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -246.790141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.790141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.790141 (E_RNA)
where:
Base-Base interactions energy: -179.115
where: short stacking energy: -78.827
Base-Backbone interact. energy: -0.833
local terms energy: -66.841593
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -9.225
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -233.994187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.994187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.994187 (E_RNA)
where:
Base-Base interactions energy: -175.166
where: short stacking energy: -66.540
Base-Backbone interact. energy: -0.440
local terms energy: -58.388738
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -243.427611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.427611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.427611 (E_RNA)
where:
Base-Base interactions energy: -160.387
where: short stacking energy: -77.265
Base-Backbone interact. energy: -0.152
local terms energy: -82.888241
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -173.693675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.693675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.693675 (E_RNA)
where:
Base-Base interactions energy: -106.886
where: short stacking energy: -54.669
Base-Backbone interact. energy: -0.095
local terms energy: -66.712599
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -322.015152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.015152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.015152 (E_RNA)
where:
Base-Base interactions energy: -236.092
where: short stacking energy: -103.078
Base-Backbone interact. energy: 0.250
local terms energy: -86.173552
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -21.257
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -312.674450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.674450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.674450 (E_RNA)
where:
Base-Base interactions energy: -218.147
where: short stacking energy: -103.614
Base-Backbone interact. energy: -0.465
local terms energy: -94.062741
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -24.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -303.382086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.382086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.382086 (E_RNA)
where:
Base-Base interactions energy: -219.135
where: short stacking energy: -97.498
Base-Backbone interact. energy: -0.032
local terms energy: -84.214320
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -277.582323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.582323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.582323 (E_RNA)
where:
Base-Base interactions energy: -196.516
where: short stacking energy: -71.547
Base-Backbone interact. energy: -0.389
local terms energy: -80.677143
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -280.894876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.894876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.894876 (E_RNA)
where:
Base-Base interactions energy: -216.198
where: short stacking energy: -81.232
Base-Backbone interact. energy: -0.576
local terms energy: -64.120349
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -259.861327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.861327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.861327 (E_RNA)
where:
Base-Base interactions energy: -189.325
where: short stacking energy: -80.291
Base-Backbone interact. energy: -0.145
local terms energy: -70.391060
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -15.683
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: 139
Temperature: 1.200000
Total energy: -238.464138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.464138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.464138 (E_RNA)
where:
Base-Base interactions energy: -165.323
where: short stacking energy: -61.577
Base-Backbone interact. energy: -0.739
local terms energy: -72.401777
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -9.134
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: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -234.858774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.858774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.858774 (E_RNA)
where:
Base-Base interactions energy: -162.616
where: short stacking energy: -68.807
Base-Backbone interact. energy: -0.299
local terms energy: -71.944631
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -217.899479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.899479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.899479 (E_RNA)
where:
Base-Base interactions energy: -146.663
where: short stacking energy: -71.169
Base-Backbone interact. energy: -1.508
local terms energy: -69.727842
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -10.305
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: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -202.729305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.729305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.729305 (E_RNA)
where:
Base-Base interactions energy: -136.209
where: short stacking energy: -54.652
Base-Backbone interact. energy: 0.058
local terms energy: -66.577953
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -323.781925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.781925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.781925 (E_RNA)
where:
Base-Base interactions energy: -235.204
where: short stacking energy: -97.848
Base-Backbone interact. energy: -0.132
local terms energy: -88.446473
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -318.740221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.740221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.740221 (E_RNA)
where:
Base-Base interactions energy: -226.051
where: short stacking energy: -91.406
Base-Backbone interact. energy: -0.023
local terms energy: -92.666063
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -23.140
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: 140
Temperature: 1.000000
Total energy: -285.841097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.841097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.841097 (E_RNA)
where:
Base-Base interactions energy: -207.971
where: short stacking energy: -90.926
Base-Backbone interact. energy: -0.695
local terms energy: -77.175132
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -4.121
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -309.726898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.726898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.726898 (E_RNA)
where:
Base-Base interactions energy: -222.876
where: short stacking energy: -104.340
Base-Backbone interact. energy: -0.004
local terms energy: -86.847037
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -24.846
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: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -265.481056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.481056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.481056 (E_RNA)
where:
Base-Base interactions energy: -188.228
where: short stacking energy: -73.848
Base-Backbone interact. energy: -0.842
local terms energy: -76.411520
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -6.662
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: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -284.199720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.199720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.199720 (E_RNA)
where:
Base-Base interactions energy: -208.654
where: short stacking energy: -84.816
Base-Backbone interact. energy: -0.163
local terms energy: -75.382390
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -11.856
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: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -244.135067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.135067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.135067 (E_RNA)
where:
Base-Base interactions energy: -161.525
where: short stacking energy: -61.026
Base-Backbone interact. energy: -0.154
local terms energy: -82.455768
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -230.954042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.954042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.954042 (E_RNA)
where:
Base-Base interactions energy: -166.438
where: short stacking energy: -66.659
Base-Backbone interact. energy: -0.182
local terms energy: -64.333691
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -7.760
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: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -227.699487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.699487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.699487 (E_RNA)
where:
Base-Base interactions energy: -155.061
where: short stacking energy: -67.788
Base-Backbone interact. energy: -0.118
local terms energy: -72.519796
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -215.503105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.503105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.503105 (E_RNA)
where:
Base-Base interactions energy: -157.653
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.192
local terms energy: -57.658238
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -5.028
tors. eta vs tors. theta energy: -11.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -328.618090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.618090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.618090 (E_RNA)
where:
Base-Base interactions energy: -243.071
where: short stacking energy: -101.966
Base-Backbone interact. energy: -0.399
local terms energy: -85.148179
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -23.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -319.319196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.319196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.319196 (E_RNA)
where:
Base-Base interactions energy: -227.036
where: short stacking energy: -101.512
Base-Backbone interact. energy: -0.001
local terms energy: -92.282165
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -261.263782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.263782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.263782 (E_RNA)
where:
Base-Base interactions energy: -192.885
where: short stacking energy: -82.415
Base-Backbone interact. energy: -0.708
local terms energy: -67.671714
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -300.072391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.072391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.072391 (E_RNA)
where:
Base-Base interactions energy: -218.989
where: short stacking energy: -99.767
Base-Backbone interact. energy: -0.398
local terms energy: -80.685721
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -25.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -263.434373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.434373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.434373 (E_RNA)
where:
Base-Base interactions energy: -188.012
where: short stacking energy: -88.729
Base-Backbone interact. energy: -0.191
local terms energy: -75.231674
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -12.298
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: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -275.322525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.322525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.322525 (E_RNA)
where:
Base-Base interactions energy: -203.889
where: short stacking energy: -79.810
Base-Backbone interact. energy: -0.812
local terms energy: -70.620867
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -228.908247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.908247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.908247 (E_RNA)
where:
Base-Base interactions energy: -163.815
where: short stacking energy: -64.626
Base-Backbone interact. energy: 0.619
local terms energy: -65.712314
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -10.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -239.501399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.501399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.501399 (E_RNA)
where:
Base-Base interactions energy: -167.694
where: short stacking energy: -70.572
Base-Backbone interact. energy: -0.462
local terms energy: -71.346145
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -225.903396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.903396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.903396 (E_RNA)
where:
Base-Base interactions energy: -160.078
where: short stacking energy: -72.597
Base-Backbone interact. energy: -0.136
local terms energy: -65.689298
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -198.189121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.189121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.189121 (E_RNA)
where:
Base-Base interactions energy: -145.154
where: short stacking energy: -73.068
Base-Backbone interact. energy: -0.500
local terms energy: -52.535400
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -8.211
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -326.309409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.309409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.309409 (E_RNA)
where:
Base-Base interactions energy: -241.333
where: short stacking energy: -101.090
Base-Backbone interact. energy: -0.628
local terms energy: -84.347962
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -306.180154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.180154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.180154 (E_RNA)
where:
Base-Base interactions energy: -222.393
where: short stacking energy: -95.817
Base-Backbone interact. energy: -0.072
local terms energy: -83.715147
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -24.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -307.211070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.211070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.211070 (E_RNA)
where:
Base-Base interactions energy: -219.600
where: short stacking energy: -99.009
Base-Backbone interact. energy: -0.086
local terms energy: -87.525521
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -26.106
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: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -265.779171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.779171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.779171 (E_RNA)
where:
Base-Base interactions energy: -196.722
where: short stacking energy: -81.193
Base-Backbone interact. energy: -0.845
local terms energy: -68.211995
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -278.530086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.530086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.530086 (E_RNA)
where:
Base-Base interactions energy: -200.105
where: short stacking energy: -73.551
Base-Backbone interact. energy: -0.878
local terms energy: -77.547363
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -264.328229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.328229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.328229 (E_RNA)
where:
Base-Base interactions energy: -189.584
where: short stacking energy: -66.679
Base-Backbone interact. energy: -0.307
local terms energy: -74.437406
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -13.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -233.151355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.151355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.151355 (E_RNA)
where:
Base-Base interactions energy: -159.414
where: short stacking energy: -72.518
Base-Backbone interact. energy: 0.760
local terms energy: -74.497069
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -231.319296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.319296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.319296 (E_RNA)
where:
Base-Base interactions energy: -160.104
where: short stacking energy: -68.159
Base-Backbone interact. energy: -0.483
local terms energy: -70.732322
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -221.099201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.099201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.099201 (E_RNA)
where:
Base-Base interactions energy: -158.363
where: short stacking energy: -72.206
Base-Backbone interact. energy: -0.023
local terms energy: -62.713889
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -19.681
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: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -194.242856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.242856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.242856 (E_RNA)
where:
Base-Base interactions energy: -135.781
where: short stacking energy: -53.619
Base-Backbone interact. energy: 1.384
local terms energy: -59.845868
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -6.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -331.948130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.948130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.948130 (E_RNA)
where:
Base-Base interactions energy: -244.362
where: short stacking energy: -102.263
Base-Backbone interact. energy: -0.001
local terms energy: -87.585248
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -25.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -307.346666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.346666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.346666 (E_RNA)
where:
Base-Base interactions energy: -224.403
where: short stacking energy: -98.837
Base-Backbone interact. energy: 1.354
local terms energy: -84.297011
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -23.066
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: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -307.498591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.498591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.498591 (E_RNA)
where:
Base-Base interactions energy: -220.207
where: short stacking energy: -103.871
Base-Backbone interact. energy: -0.705
local terms energy: -86.587204
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -24.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -273.698337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.698337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.698337 (E_RNA)
where:
Base-Base interactions energy: -200.596
where: short stacking energy: -75.618
Base-Backbone interact. energy: -1.961
local terms energy: -71.141413
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -252.913669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.913669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.913669 (E_RNA)
where:
Base-Base interactions energy: -169.051
where: short stacking energy: -70.135
Base-Backbone interact. energy: -0.248
local terms energy: -83.613804
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -13.450
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: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -253.638438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.638438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.638438 (E_RNA)
where:
Base-Base interactions energy: -173.605
where: short stacking energy: -70.819
Base-Backbone interact. energy: -0.360
local terms energy: -79.673159
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -244.357734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.357734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.357734 (E_RNA)
where:
Base-Base interactions energy: -174.749
where: short stacking energy: -67.243
Base-Backbone interact. energy: -0.749
local terms energy: -68.859961
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -233.841382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.841382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.841382 (E_RNA)
where:
Base-Base interactions energy: -166.211
where: short stacking energy: -69.703
Base-Backbone interact. energy: -0.101
local terms energy: -67.529094
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -226.221507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.221507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.221507 (E_RNA)
where:
Base-Base interactions energy: -156.457
where: short stacking energy: -67.775
Base-Backbone interact. energy: -0.117
local terms energy: -69.647799
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -11.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -170.921115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.921115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.921115 (E_RNA)
where:
Base-Base interactions energy: -119.229
where: short stacking energy: -50.336
Base-Backbone interact. energy: -0.262
local terms energy: -51.429718
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -329.968338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.968338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.968338 (E_RNA)
where:
Base-Base interactions energy: -239.394
where: short stacking energy: -99.444
Base-Backbone interact. energy: -0.008
local terms energy: -90.566075
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -26.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -312.183076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.183076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.183076 (E_RNA)
where:
Base-Base interactions energy: -224.624
where: short stacking energy: -105.406
Base-Backbone interact. energy: -0.046
local terms energy: -87.513865
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -24.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -311.608653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.608653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.608653 (E_RNA)
where:
Base-Base interactions energy: -218.128
where: short stacking energy: -98.678
Base-Backbone interact. energy: -0.092
local terms energy: -93.388704
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -27.580
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: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -279.020801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.020801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.020801 (E_RNA)
where:
Base-Base interactions energy: -203.765
where: short stacking energy: -72.560
Base-Backbone interact. energy: -0.494
local terms energy: -74.761771
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -10.236
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: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -256.202045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.202045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.202045 (E_RNA)
where:
Base-Base interactions energy: -181.644
where: short stacking energy: -82.685
Base-Backbone interact. energy: -0.173
local terms energy: -74.385066
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -242.174122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.174122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.174122 (E_RNA)
where:
Base-Base interactions energy: -163.742
where: short stacking energy: -74.445
Base-Backbone interact. energy: -0.011
local terms energy: -78.420928
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -8.940
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: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -235.841377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.841377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.841377 (E_RNA)
where:
Base-Base interactions energy: -166.045
where: short stacking energy: -73.520
Base-Backbone interact. energy: -0.020
local terms energy: -69.776296
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -7.805
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: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -243.690543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.690543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.690543 (E_RNA)
where:
Base-Base interactions energy: -173.160
where: short stacking energy: -83.930
Base-Backbone interact. energy: -0.205
local terms energy: -70.326090
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -17.185
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: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -179.713946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.713946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.713946 (E_RNA)
where:
Base-Base interactions energy: -105.669
where: short stacking energy: -49.961
Base-Backbone interact. energy: -0.009
local terms energy: -74.035455
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -8.063
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: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -220.964989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.964989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.964989 (E_RNA)
where:
Base-Base interactions energy: -160.565
where: short stacking energy: -67.634
Base-Backbone interact. energy: -0.309
local terms energy: -60.090809
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -12.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -323.637424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.637424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.637424 (E_RNA)
where:
Base-Base interactions energy: -239.207
where: short stacking energy: -103.128
Base-Backbone interact. energy: -0.243
local terms energy: -84.187735
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -25.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -312.425702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.425702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.425702 (E_RNA)
where:
Base-Base interactions energy: -225.219
where: short stacking energy: -99.558
Base-Backbone interact. energy: -0.623
local terms energy: -86.583646
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -306.883718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.883718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.883718 (E_RNA)
where:
Base-Base interactions energy: -218.611
where: short stacking energy: -100.520
Base-Backbone interact. energy: -0.010
local terms energy: -88.262536
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -24.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -282.508280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.508280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.508280 (E_RNA)
where:
Base-Base interactions energy: -204.041
where: short stacking energy: -72.643
Base-Backbone interact. energy: -1.210
local terms energy: -77.257798
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -264.690422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.690422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.690422 (E_RNA)
where:
Base-Base interactions energy: -185.446
where: short stacking energy: -80.370
Base-Backbone interact. energy: -0.141
local terms energy: -79.103967
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -12.466
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: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -243.667942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.667942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.667942 (E_RNA)
where:
Base-Base interactions energy: -173.623
where: short stacking energy: -78.418
Base-Backbone interact. energy: -0.358
local terms energy: -69.687611
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -16.648
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: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -233.054981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.054981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.054981 (E_RNA)
where:
Base-Base interactions energy: -162.251
where: short stacking energy: -65.873
Base-Backbone interact. energy: -0.597
local terms energy: -70.206192
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -233.683300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.683300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.683300 (E_RNA)
where:
Base-Base interactions energy: -162.652
where: short stacking energy: -70.089
Base-Backbone interact. energy: -0.167
local terms energy: -70.865016
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -207.524769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.524769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.524769 (E_RNA)
where:
Base-Base interactions energy: -136.728
where: short stacking energy: -74.238
Base-Backbone interact. energy: -0.000
local terms energy: -70.796185
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -19.708
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: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -230.124034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.124034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.124034 (E_RNA)
where:
Base-Base interactions energy: -162.969
where: short stacking energy: -64.538
Base-Backbone interact. energy: 0.462
local terms energy: -67.616893
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -7.583
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: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -318.024415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.024415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.024415 (E_RNA)
where:
Base-Base interactions energy: -234.601
where: short stacking energy: -101.228
Base-Backbone interact. energy: -0.017
local terms energy: -83.406336
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -25.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -301.260207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.260207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.260207 (E_RNA)
where:
Base-Base interactions energy: -209.437
where: short stacking energy: -89.688
Base-Backbone interact. energy: -0.010
local terms energy: -91.812759
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -23.927
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: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -307.675751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.675751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.675751 (E_RNA)
where:
Base-Base interactions energy: -229.703
where: short stacking energy: -98.041
Base-Backbone interact. energy: -0.616
local terms energy: -77.357006
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -21.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -283.525918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.525918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.525918 (E_RNA)
where:
Base-Base interactions energy: -209.486
where: short stacking energy: -86.352
Base-Backbone interact. energy: 1.099
local terms energy: -75.138136
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -14.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -269.089583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.089583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.089583 (E_RNA)
where:
Base-Base interactions energy: -195.318
where: short stacking energy: -87.798
Base-Backbone interact. energy: -0.026
local terms energy: -73.745261
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -242.726978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.726978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.726978 (E_RNA)
where:
Base-Base interactions energy: -169.057
where: short stacking energy: -76.113
Base-Backbone interact. energy: -0.191
local terms energy: -73.478673
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -18.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -249.308310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.308310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.308310 (E_RNA)
where:
Base-Base interactions energy: -172.835
where: short stacking energy: -80.151
Base-Backbone interact. energy: 0.001
local terms energy: -76.473917
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -224.992750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.992750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.992750 (E_RNA)
where:
Base-Base interactions energy: -162.851
where: short stacking energy: -73.578
Base-Backbone interact. energy: 1.983
local terms energy: -64.124352
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -12.749
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: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -195.576097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.576097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.576097 (E_RNA)
where:
Base-Base interactions energy: -121.986
where: short stacking energy: -63.953
Base-Backbone interact. energy: 1.888
local terms energy: -75.477448
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -222.343332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.343332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.343332 (E_RNA)
where:
Base-Base interactions energy: -153.887
where: short stacking energy: -69.228
Base-Backbone interact. energy: 0.043
local terms energy: -68.498459
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -314.929045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.929045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.929045 (E_RNA)
where:
Base-Base interactions energy: -225.949
where: short stacking energy: -101.472
Base-Backbone interact. energy: -0.005
local terms energy: -88.974555
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -25.182
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: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -311.876545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.876545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.876545 (E_RNA)
where:
Base-Base interactions energy: -224.499
where: short stacking energy: -101.598
Base-Backbone interact. energy: -0.001
local terms energy: -87.376816
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -24.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -308.772948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.772948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.772948 (E_RNA)
where:
Base-Base interactions energy: -219.532
where: short stacking energy: -102.042
Base-Backbone interact. energy: -0.002
local terms energy: -89.238615
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -26.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -271.077810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.077810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.077810 (E_RNA)
where:
Base-Base interactions energy: -193.070
where: short stacking energy: -82.351
Base-Backbone interact. energy: 0.023
local terms energy: -78.030838
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -18.919
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: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -280.262718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.262718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.262718 (E_RNA)
where:
Base-Base interactions energy: -215.217
where: short stacking energy: -71.982
Base-Backbone interact. energy: -0.345
local terms energy: -64.700717
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -250.058122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.058122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.058122 (E_RNA)
where:
Base-Base interactions energy: -180.831
where: short stacking energy: -65.085
Base-Backbone interact. energy: -0.273
local terms energy: -68.954631
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -10.405
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: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -228.067240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.067240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.067240 (E_RNA)
where:
Base-Base interactions energy: -153.340
where: short stacking energy: -90.205
Base-Backbone interact. energy: -0.183
local terms energy: -74.544417
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -7.881
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: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -191.886760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.886760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.886760 (E_RNA)
where:
Base-Base interactions energy: -125.639
where: short stacking energy: -60.560
Base-Backbone interact. energy: -0.211
local terms energy: -66.036684
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -222.294029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.294029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.294029 (E_RNA)
where:
Base-Base interactions energy: -157.132
where: short stacking energy: -62.534
Base-Backbone interact. energy: -0.186
local terms energy: -64.976119
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -8.736
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: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -221.315009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.315009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.315009 (E_RNA)
where:
Base-Base interactions energy: -152.768
where: short stacking energy: -68.484
Base-Backbone interact. energy: -0.921
local terms energy: -67.626150
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -8.613
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: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -311.606345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.606345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.606345 (E_RNA)
where:
Base-Base interactions energy: -222.781
where: short stacking energy: -107.618
Base-Backbone interact. energy: 1.943
local terms energy: -90.768810
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -22.605
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: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -311.047966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.047966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.047966 (E_RNA)
where:
Base-Base interactions energy: -219.567
where: short stacking energy: -99.474
Base-Backbone interact. energy: -0.239
local terms energy: -91.242253
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -26.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -308.868330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.868330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.868330 (E_RNA)
where:
Base-Base interactions energy: -225.509
where: short stacking energy: -96.333
Base-Backbone interact. energy: -0.022
local terms energy: -83.337696
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -23.603
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: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -269.178047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.178047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.178047 (E_RNA)
where:
Base-Base interactions energy: -196.856
where: short stacking energy: -84.885
Base-Backbone interact. energy: -0.303
local terms energy: -72.019752
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -270.920986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.920986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.920986 (E_RNA)
where:
Base-Base interactions energy: -198.635
where: short stacking energy: -69.918
Base-Backbone interact. energy: -0.742
local terms energy: -71.544377
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -8.577
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: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -245.853673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.853673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.853673 (E_RNA)
where:
Base-Base interactions energy: -182.414
where: short stacking energy: -85.165
Base-Backbone interact. energy: 0.346
local terms energy: -63.785938
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -248.242799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.242799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.242799 (E_RNA)
where:
Base-Base interactions energy: -169.841
where: short stacking energy: -88.804
Base-Backbone interact. energy: -0.093
local terms energy: -78.309068
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -14.408
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: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -202.322101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.322101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.322101 (E_RNA)
where:
Base-Base interactions energy: -135.433
where: short stacking energy: -63.340
Base-Backbone interact. energy: 0.339
local terms energy: -67.228218
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -221.826357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.826357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.826357 (E_RNA)
where:
Base-Base interactions energy: -151.540
where: short stacking energy: -62.539
Base-Backbone interact. energy: -0.150
local terms energy: -70.136043
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -215.210075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.210075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.210075 (E_RNA)
where:
Base-Base interactions energy: -150.971
where: short stacking energy: -60.026
Base-Backbone interact. energy: -0.962
local terms energy: -63.276960
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -8.851
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: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -314.979838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.979838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.979838 (E_RNA)
where:
Base-Base interactions energy: -220.982
where: short stacking energy: -108.502
Base-Backbone interact. energy: -0.018
local terms energy: -93.980069
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -26.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -300.949429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.949429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.949429 (E_RNA)
where:
Base-Base interactions energy: -211.231
where: short stacking energy: -90.048
Base-Backbone interact. energy: -0.072
local terms energy: -89.646672
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -23.086
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: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -306.369072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.369072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.369072 (E_RNA)
where:
Base-Base interactions energy: -216.843
where: short stacking energy: -94.327
Base-Backbone interact. energy: 0.649
local terms energy: -90.174227
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -22.007
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: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -271.672606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.672606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.672606 (E_RNA)
where:
Base-Base interactions energy: -194.470
where: short stacking energy: -78.184
Base-Backbone interact. energy: 2.030
local terms energy: -79.233292
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -258.809041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.809041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.809041 (E_RNA)
where:
Base-Base interactions energy: -181.741
where: short stacking energy: -70.154
Base-Backbone interact. energy: -0.288
local terms energy: -76.780472
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -11.725
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: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -244.150831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.150831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.150831 (E_RNA)
where:
Base-Base interactions energy: -177.950
where: short stacking energy: -77.065
Base-Backbone interact. energy: -0.102
local terms energy: -66.099112
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -15.126
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: 149
Temperature: 1.200000
Total energy: -244.656644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.656644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.656644 (E_RNA)
where:
Base-Base interactions energy: -172.338
where: short stacking energy: -76.301
Base-Backbone interact. energy: 0.328
local terms energy: -72.646611
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -11.567
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: 8, replica: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -238.142720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.142720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.142720 (E_RNA)
where:
Base-Base interactions energy: -170.421
where: short stacking energy: -75.595
Base-Backbone interact. energy: 1.047
local terms energy: -68.769304
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -203.045034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.045034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.045034 (E_RNA)
where:
Base-Base interactions energy: -151.000
where: short stacking energy: -60.942
Base-Backbone interact. energy: -0.173
local terms energy: -51.871816
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -217.583747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.583747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.583747 (E_RNA)
where:
Base-Base interactions energy: -152.585
where: short stacking energy: -50.088
Base-Backbone interact. energy: -0.408
local terms energy: -64.590770
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -10.467
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: 150
Temperature: 0.900000
Total energy: -313.839970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.839970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.839970 (E_RNA)
where:
Base-Base interactions energy: -224.639
where: short stacking energy: -103.268
Base-Backbone interact. energy: -0.225
local terms energy: -88.975563
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -24.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -317.910260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.910260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.910260 (E_RNA)
where:
Base-Base interactions energy: -225.597
where: short stacking energy: -108.455
Base-Backbone interact. energy: -0.005
local terms energy: -92.307734
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -24.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -313.319135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.319135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.319135 (E_RNA)
where:
Base-Base interactions energy: -219.979
where: short stacking energy: -93.641
Base-Backbone interact. energy: -0.076
local terms energy: -93.264194
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -24.878
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: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -264.181891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.181891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.181891 (E_RNA)
where:
Base-Base interactions energy: -184.902
where: short stacking energy: -86.342
Base-Backbone interact. energy: -1.323
local terms energy: -77.956387
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -253.314678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.314678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.314678 (E_RNA)
where:
Base-Base interactions energy: -177.393
where: short stacking energy: -84.648
Base-Backbone interact. energy: -0.107
local terms energy: -75.814919
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -17.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -259.830671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.830671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.830671 (E_RNA)
where:
Base-Base interactions energy: -187.919
where: short stacking energy: -75.603
Base-Backbone interact. energy: -0.194
local terms energy: -71.717212
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -15.661
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: 150
Temperature: 1.200000
Total energy: -248.064933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.064933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.064933 (E_RNA)
where:
Base-Base interactions energy: -180.812
where: short stacking energy: -76.288
Base-Backbone interact. energy: -0.125
local terms energy: -67.127626
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -227.231890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.231890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.231890 (E_RNA)
where:
Base-Base interactions energy: -168.168
where: short stacking energy: -70.674
Base-Backbone interact. energy: -0.102
local terms energy: -58.962188
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -14.129
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: 2
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -163.051045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.051045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.051045 (E_RNA)
where:
Base-Base interactions energy: -100.273
where: short stacking energy: -56.827
Base-Backbone interact. energy: -0.201
local terms energy: -62.577686
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -9.668
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: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -196.057149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.057149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.057149 (E_RNA)
where:
Base-Base interactions energy: -126.276
where: short stacking energy: -67.006
Base-Backbone interact. energy: -0.337
local terms energy: -69.443931
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -12.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -314.043476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.043476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.043476 (E_RNA)
where:
Base-Base interactions energy: -222.808
where: short stacking energy: -100.843
Base-Backbone interact. energy: -0.021
local terms energy: -91.214374
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -24.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -314.022902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.022902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.022902 (E_RNA)
where:
Base-Base interactions energy: -222.558
where: short stacking energy: -105.639
Base-Backbone interact. energy: -0.001
local terms energy: -91.464607
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -26.219
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: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -310.128727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.128727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.128727 (E_RNA)
where:
Base-Base interactions energy: -225.075
where: short stacking energy: -106.494
Base-Backbone interact. energy: 0.663
local terms energy: -85.716374
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -22.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -255.298536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.298536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.298536 (E_RNA)
where:
Base-Base interactions energy: -174.465
where: short stacking energy: -82.015
Base-Backbone interact. energy: -0.012
local terms energy: -80.820628
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -259.625736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.625736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.625736 (E_RNA)
where:
Base-Base interactions energy: -191.616
where: short stacking energy: -81.331
Base-Backbone interact. energy: -0.215
local terms energy: -67.795310
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -247.054072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.054072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.054072 (E_RNA)
where:
Base-Base interactions energy: -171.477
where: short stacking energy: -70.428
Base-Backbone interact. energy: -0.236
local terms energy: -75.341207
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -9.896
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: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -254.109354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.109354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.109354 (E_RNA)
where:
Base-Base interactions energy: -187.020
where: short stacking energy: -68.967
Base-Backbone interact. energy: -0.103
local terms energy: -66.985996
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -182.408090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.408090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.408090 (E_RNA)
where:
Base-Base interactions energy: -112.797
where: short stacking energy: -70.451
Base-Backbone interact. energy: -0.014
local terms energy: -69.597856
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -12.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -218.639309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.639309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.639309 (E_RNA)
where:
Base-Base interactions energy: -151.114
where: short stacking energy: -66.953
Base-Backbone interact. energy: -0.139
local terms energy: -67.386344
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -12.210
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: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -199.045421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.045421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.045421 (E_RNA)
where:
Base-Base interactions energy: -129.662
where: short stacking energy: -64.736
Base-Backbone interact. energy: -0.087
local terms energy: -69.295804
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -314.416415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.416415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.416415 (E_RNA)
where:
Base-Base interactions energy: -223.392
where: short stacking energy: -102.403
Base-Backbone interact. energy: -0.001
local terms energy: -91.022591
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -24.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -316.699501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.699501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.699501 (E_RNA)
where:
Base-Base interactions energy: -224.902
where: short stacking energy: -108.334
Base-Backbone interact. energy: -0.044
local terms energy: -91.753409
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -26.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -300.158896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.158896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.158896 (E_RNA)
where:
Base-Base interactions energy: -215.525
where: short stacking energy: -101.324
Base-Backbone interact. energy: -0.000
local terms energy: -84.634038
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -249.890327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.890327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.890327 (E_RNA)
where:
Base-Base interactions energy: -172.729
where: short stacking energy: -78.607
Base-Backbone interact. energy: -0.085
local terms energy: -77.076517
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -259.044613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.044613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.044613 (E_RNA)
where:
Base-Base interactions energy: -178.833
where: short stacking energy: -75.629
Base-Backbone interact. energy: -0.168
local terms energy: -80.044104
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -10.113
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: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -246.619263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.619263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.619263 (E_RNA)
where:
Base-Base interactions energy: -163.991
where: short stacking energy: -67.138
Base-Backbone interact. energy: -1.659
local terms energy: -80.969601
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -243.996455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.996455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.996455 (E_RNA)
where:
Base-Base interactions energy: -188.170
where: short stacking energy: -63.409
Base-Backbone interact. energy: 0.790
local terms energy: -56.616038
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -7.019
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -169.698813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.698813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.698813 (E_RNA)
where:
Base-Base interactions energy: -97.791
where: short stacking energy: -56.995
Base-Backbone interact. energy: -0.014
local terms energy: -71.894167
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -222.884943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.884943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.884943 (E_RNA)
where:
Base-Base interactions energy: -155.394
where: short stacking energy: -63.410
Base-Backbone interact. energy: -0.156
local terms energy: -67.335052
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -8.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -196.180390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.180390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.180390 (E_RNA)
where:
Base-Base interactions energy: -124.073
where: short stacking energy: -59.107
Base-Backbone interact. energy: -0.703
local terms energy: -71.404549
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -14.197
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: 1, replica: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -316.997036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.997036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.997036 (E_RNA)
where:
Base-Base interactions energy: -224.343
where: short stacking energy: -100.600
Base-Backbone interact. energy: 1.841
local terms energy: -94.495717
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -24.892
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: 2, replica: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -309.419025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.419025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.419025 (E_RNA)
where:
Base-Base interactions energy: -219.805
where: short stacking energy: -102.733
Base-Backbone interact. energy: -0.024
local terms energy: -89.589828
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -23.532
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: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -305.192087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.192087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.192087 (E_RNA)
where:
Base-Base interactions energy: -218.446
where: short stacking energy: -105.477
Base-Backbone interact. energy: 0.344
local terms energy: -87.089591
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -258.108144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.108144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.108144 (E_RNA)
where:
Base-Base interactions energy: -181.474
where: short stacking energy: -81.084
Base-Backbone interact. energy: -0.059
local terms energy: -76.575115
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -245.461580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.461580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.461580 (E_RNA)
where:
Base-Base interactions energy: -179.483
where: short stacking energy: -62.552
Base-Backbone interact. energy: -1.528
local terms energy: -64.451325
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -4.048
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -245.881627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.881627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.881627 (E_RNA)
where:
Base-Base interactions energy: -179.637
where: short stacking energy: -80.842
Base-Backbone interact. energy: -0.328
local terms energy: -65.916299
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -14.736
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: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -244.778556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.778556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.778556 (E_RNA)
where:
Base-Base interactions energy: -174.160
where: short stacking energy: -65.216
Base-Backbone interact. energy: -0.229
local terms energy: -70.388992
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -13.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -216.298408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.298408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.298408 (E_RNA)
where:
Base-Base interactions energy: -148.941
where: short stacking energy: -62.570
Base-Backbone interact. energy: -0.012
local terms energy: -67.345242
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -11.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -154.196149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.196149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.196149 (E_RNA)
where:
Base-Base interactions energy: -90.980
where: short stacking energy: -38.197
Base-Backbone interact. energy: -0.079
local terms energy: -63.137290
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -184.561373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.561373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.561373 (E_RNA)
where:
Base-Base interactions energy: -119.974
where: short stacking energy: -59.532
Base-Backbone interact. energy: -0.264
local terms energy: -64.324107
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -317.692510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.692510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.692510 (E_RNA)
where:
Base-Base interactions energy: -224.200
where: short stacking energy: -102.433
Base-Backbone interact. energy: -0.083
local terms energy: -93.410161
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -26.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -310.318277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.318277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.318277 (E_RNA)
where:
Base-Base interactions energy: -230.299
where: short stacking energy: -108.537
Base-Backbone interact. energy: -0.000
local terms energy: -80.018583
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -22.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -309.813611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.813611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.813611 (E_RNA)
where:
Base-Base interactions energy: -221.663
where: short stacking energy: -105.075
Base-Backbone interact. energy: -0.009
local terms energy: -88.142379
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -24.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -264.205700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.205700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.205700 (E_RNA)
where:
Base-Base interactions energy: -190.292
where: short stacking energy: -83.168
Base-Backbone interact. energy: 2.267
local terms energy: -76.179942
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -252.799101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.799101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.799101 (E_RNA)
where:
Base-Base interactions energy: -172.474
where: short stacking energy: -80.053
Base-Backbone interact. energy: -0.004
local terms energy: -80.321529
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -255.540573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.540573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.540573 (E_RNA)
where:
Base-Base interactions energy: -183.393
where: short stacking energy: -75.209
Base-Backbone interact. energy: -0.215
local terms energy: -71.932697
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -9.480
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: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -232.621858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.621858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.621858 (E_RNA)
where:
Base-Base interactions energy: -166.530
where: short stacking energy: -73.111
Base-Backbone interact. energy: -0.057
local terms energy: -66.034886
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -7.611
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: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -228.085213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.085213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.085213 (E_RNA)
where:
Base-Base interactions energy: -160.553
where: short stacking energy: -66.954
Base-Backbone interact. energy: -1.554
local terms energy: -65.978780
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -9.926
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: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -190.796061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.796061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.796061 (E_RNA)
where:
Base-Base interactions energy: -126.772
where: short stacking energy: -64.957
Base-Backbone interact. energy: -0.013
local terms energy: -64.010307
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -99.454766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.454766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.454766 (E_RNA)
where:
Base-Base interactions energy: -43.676
where: short stacking energy: -31.696
Base-Backbone interact. energy: -0.245
local terms energy: -55.534486
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -11.397
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: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -322.790230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.790230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.790230 (E_RNA)
where:
Base-Base interactions energy: -232.781
where: short stacking energy: -101.187
Base-Backbone interact. energy: -0.002
local terms energy: -90.007540
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -26.184
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: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -310.931022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.931022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.931022 (E_RNA)
where:
Base-Base interactions energy: -215.538
where: short stacking energy: -98.073
Base-Backbone interact. energy: -0.073
local terms energy: -95.319699
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -24.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -304.657295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.657295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.657295 (E_RNA)
where:
Base-Base interactions energy: -215.614
where: short stacking energy: -96.180
Base-Backbone interact. energy: 0.370
local terms energy: -89.413904
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -26.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -263.321844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.321844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.321844 (E_RNA)
where:
Base-Base interactions energy: -176.915
where: short stacking energy: -88.047
Base-Backbone interact. energy: -0.001
local terms energy: -86.406331
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -255.609519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.609519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.609519 (E_RNA)
where:
Base-Base interactions energy: -190.618
where: short stacking energy: -77.944
Base-Backbone interact. energy: -0.266
local terms energy: -64.725756
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -2.679
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -251.965803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.965803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.965803 (E_RNA)
where:
Base-Base interactions energy: -179.154
where: short stacking energy: -88.781
Base-Backbone interact. energy: 1.474
local terms energy: -74.285958
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -233.169650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.169650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.169650 (E_RNA)
where:
Base-Base interactions energy: -165.704
where: short stacking energy: -77.110
Base-Backbone interact. energy: -0.049
local terms energy: -67.417189
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -243.420810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.420810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.420810 (E_RNA)
where:
Base-Base interactions energy: -171.601
where: short stacking energy: -67.910
Base-Backbone interact. energy: -2.528
local terms energy: -69.292259
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -195.351272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.351272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.351272 (E_RNA)
where:
Base-Base interactions energy: -134.359
where: short stacking energy: -61.116
Base-Backbone interact. energy: -0.381
local terms energy: -60.610725
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -9.381
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -10.571
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: 10, replica: 2
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -112.875339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.875339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.875339 (E_RNA)
where:
Base-Base interactions energy: -57.575
where: short stacking energy: -57.575
Base-Backbone interact. energy: -0.089
local terms energy: -55.211041
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -10.904
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: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -317.278884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.278884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.278884 (E_RNA)
where:
Base-Base interactions energy: -220.885
where: short stacking energy: -106.974
Base-Backbone interact. energy: 0.345
local terms energy: -96.738077
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: -26.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -310.620617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.620617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.620617 (E_RNA)
where:
Base-Base interactions energy: -223.451
where: short stacking energy: -96.190
Base-Backbone interact. energy: -0.130
local terms energy: -87.038863
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -24.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -300.532978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.532978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.532978 (E_RNA)
where:
Base-Base interactions energy: -213.884
where: short stacking energy: -97.081
Base-Backbone interact. energy: -0.000
local terms energy: -86.648607
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -23.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -269.918645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.918645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.918645 (E_RNA)
where:
Base-Base interactions energy: -187.832
where: short stacking energy: -79.494
Base-Backbone interact. energy: -0.104
local terms energy: -81.982391
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -247.866758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.866758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.866758 (E_RNA)
where:
Base-Base interactions energy: -172.061
where: short stacking energy: -79.576
Base-Backbone interact. energy: -0.800
local terms energy: -75.004867
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -236.278539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.278539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.278539 (E_RNA)
where:
Base-Base interactions energy: -170.835
where: short stacking energy: -81.996
Base-Backbone interact. energy: -0.056
local terms energy: -65.388334
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -17.457
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: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -241.530273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.530273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.530273 (E_RNA)
where:
Base-Base interactions energy: -166.838
where: short stacking energy: -67.396
Base-Backbone interact. energy: 0.511
local terms energy: -75.203775
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -220.484475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.484475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.484475 (E_RNA)
where:
Base-Base interactions energy: -163.231
where: short stacking energy: -55.295
Base-Backbone interact. energy: -0.183
local terms energy: -57.070690
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -7.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -115.105511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.105511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.105511 (E_RNA)
where:
Base-Base interactions energy: -46.822
where: short stacking energy: -42.206
Base-Backbone interact. energy: -0.206
local terms energy: -68.077283
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -7.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -192.648218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.648218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.648218 (E_RNA)
where:
Base-Base interactions energy: -122.694
where: short stacking energy: -67.261
Base-Backbone interact. energy: -0.458
local terms energy: -69.496478
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -308.584747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.584747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.584747 (E_RNA)
where:
Base-Base interactions energy: -221.200
where: short stacking energy: -105.994
Base-Backbone interact. energy: 0.532
local terms energy: -87.915951
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -23.623
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: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -318.007336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.007336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.007336 (E_RNA)
where:
Base-Base interactions energy: -230.316
where: short stacking energy: -107.307
Base-Backbone interact. energy: -0.001
local terms energy: -87.690479
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -25.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -308.815799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.815799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.815799 (E_RNA)
where:
Base-Base interactions energy: -232.585
where: short stacking energy: -100.608
Base-Backbone interact. energy: -0.005
local terms energy: -76.225360
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -25.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -261.556658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.556658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.556658 (E_RNA)
where:
Base-Base interactions energy: -191.952
where: short stacking energy: -78.126
Base-Backbone interact. energy: -0.063
local terms energy: -69.542251
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -7.045
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: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -263.755092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.755092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.755092 (E_RNA)
where:
Base-Base interactions energy: -181.152
where: short stacking energy: -83.203
Base-Backbone interact. energy: -0.181
local terms energy: -82.422252
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -16.682
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: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -245.241157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.241157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.241157 (E_RNA)
where:
Base-Base interactions energy: -180.559
where: short stacking energy: -78.779
Base-Backbone interact. energy: -0.148
local terms energy: -64.533996
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -263.963775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.963775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.963775 (E_RNA)
where:
Base-Base interactions energy: -197.696
where: short stacking energy: -73.509
Base-Backbone interact. energy: 2.478
local terms energy: -68.746662
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -8.831
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -15.019
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: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -227.905328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.905328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.905328 (E_RNA)
where:
Base-Base interactions energy: -160.797
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.098
local terms energy: -67.009748
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -106.789219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.789219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.789219 (E_RNA)
where:
Base-Base interactions energy: -51.922
where: short stacking energy: -40.408
Base-Backbone interact. energy: -0.838
local terms energy: -54.029357
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -181.391283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.391283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.391283 (E_RNA)
where:
Base-Base interactions energy: -123.391
where: short stacking energy: -50.461
Base-Backbone interact. energy: -0.166
local terms energy: -57.834208
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -2.344
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: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -316.955959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.955959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.955959 (E_RNA)
where:
Base-Base interactions energy: -226.773
where: short stacking energy: -102.005
Base-Backbone interact. energy: -0.241
local terms energy: -89.942710
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -25.884
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: 2, replica: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -312.525470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.525470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.525470 (E_RNA)
where:
Base-Base interactions energy: -225.458
where: short stacking energy: -98.063
Base-Backbone interact. energy: 0.115
local terms energy: -87.181852
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -294.927820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.927820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.927820 (E_RNA)
where:
Base-Base interactions energy: -213.821
where: short stacking energy: -98.778
Base-Backbone interact. energy: -0.590
local terms energy: -80.516949
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -270.350000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.350000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.350000 (E_RNA)
where:
Base-Base interactions energy: -194.656
where: short stacking energy: -86.265
Base-Backbone interact. energy: 0.897
local terms energy: -76.591039
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -237.244684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.244684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.244684 (E_RNA)
where:
Base-Base interactions energy: -163.523
where: short stacking energy: -71.872
Base-Backbone interact. energy: -0.138
local terms energy: -73.583871
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -17.973
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: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -243.794692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.794692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.794692 (E_RNA)
where:
Base-Base interactions energy: -175.583
where: short stacking energy: -71.465
Base-Backbone interact. energy: 0.037
local terms energy: -68.249081
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -269.391874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.391874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.391874 (E_RNA)
where:
Base-Base interactions energy: -196.494
where: short stacking energy: -75.336
Base-Backbone interact. energy: -1.870
local terms energy: -71.028299
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -222.972926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.972926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.972926 (E_RNA)
where:
Base-Base interactions energy: -153.421
where: short stacking energy: -74.038
Base-Backbone interact. energy: -0.003
local terms energy: -69.548447
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -13.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -184.688460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.688460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.688460 (E_RNA)
where:
Base-Base interactions energy: -124.265
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.178
local terms energy: -60.245833
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -10.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -97.217513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.217513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.217513 (E_RNA)
where:
Base-Base interactions energy: -41.388
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.193
local terms energy: -55.636621
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -10.014
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: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -314.079328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.079328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.079328 (E_RNA)
where:
Base-Base interactions energy: -228.536
where: short stacking energy: -105.177
Base-Backbone interact. energy: 0.079
local terms energy: -85.622663
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -26.391
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: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -319.932313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.932313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.932313 (E_RNA)
where:
Base-Base interactions energy: -224.137
where: short stacking energy: -108.451
Base-Backbone interact. energy: 2.060
local terms energy: -97.855859
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -25.916
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: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -313.659012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.659012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.659012 (E_RNA)
where:
Base-Base interactions energy: -225.651
where: short stacking energy: -95.527
Base-Backbone interact. energy: -0.013
local terms energy: -87.994562
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -267.848512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.848512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.848512 (E_RNA)
where:
Base-Base interactions energy: -189.452
where: short stacking energy: -83.654
Base-Backbone interact. energy: -0.266
local terms energy: -78.130031
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -282.733540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.733540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.733540 (E_RNA)
where:
Base-Base interactions energy: -206.780
where: short stacking energy: -90.482
Base-Backbone interact. energy: -0.323
local terms energy: -75.630459
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.460
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: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -270.655022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.655022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.655022 (E_RNA)
where:
Base-Base interactions energy: -201.223
where: short stacking energy: -73.462
Base-Backbone interact. energy: 1.969
local terms energy: -71.401243
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -241.845436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.845436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.845436 (E_RNA)
where:
Base-Base interactions energy: -170.398
where: short stacking energy: -72.238
Base-Backbone interact. energy: -1.021
local terms energy: -70.425583
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -220.667740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.667740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.667740 (E_RNA)
where:
Base-Base interactions energy: -150.081
where: short stacking energy: -65.395
Base-Backbone interact. energy: -0.080
local terms energy: -70.506946
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -193.152886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.152886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.152886 (E_RNA)
where:
Base-Base interactions energy: -135.810
where: short stacking energy: -60.488
Base-Backbone interact. energy: 2.409
local terms energy: -59.752575
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -10.317
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: 10, replica: 2
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -113.938646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.938646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.938646 (E_RNA)
where:
Base-Base interactions energy: -49.583
where: short stacking energy: -42.633
Base-Backbone interact. energy: -0.158
local terms energy: -64.197152
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -4.929
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: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -324.881284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.881284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.881284 (E_RNA)
where:
Base-Base interactions energy: -233.024
where: short stacking energy: -101.425
Base-Backbone interact. energy: -0.000
local terms energy: -91.857112
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -25.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -316.217031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.217031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.217031 (E_RNA)
where:
Base-Base interactions energy: -222.037
where: short stacking energy: -102.504
Base-Backbone interact. energy: -0.014
local terms energy: -94.166138
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -26.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -303.400244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.400244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.400244 (E_RNA)
where:
Base-Base interactions energy: -212.592
where: short stacking energy: -93.182
Base-Backbone interact. energy: -0.118
local terms energy: -90.689733
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -22.497
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: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -269.515338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.515338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.515338 (E_RNA)
where:
Base-Base interactions energy: -187.530
where: short stacking energy: -85.479
Base-Backbone interact. energy: -0.035
local terms energy: -81.950806
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -265.065116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.065116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.065116 (E_RNA)
where:
Base-Base interactions energy: -198.921
where: short stacking energy: -91.622
Base-Backbone interact. energy: -0.553
local terms energy: -65.591445
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -247.577700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.577700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.577700 (E_RNA)
where:
Base-Base interactions energy: -172.531
where: short stacking energy: -76.747
Base-Backbone interact. energy: 1.072
local terms energy: -76.118670
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -17.888
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: 160
Temperature: 1.200000
Total energy: -229.476482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.476482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.476482 (E_RNA)
where:
Base-Base interactions energy: -159.871
where: short stacking energy: -76.272
Base-Backbone interact. energy: -0.054
local terms energy: -69.551340
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -13.982
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: 8, replica: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -253.005650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.005650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.005650 (E_RNA)
where:
Base-Base interactions energy: -178.784
where: short stacking energy: -79.545
Base-Backbone interact. energy: -0.315
local terms energy: -73.906699
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -189.399974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.399974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.399974 (E_RNA)
where:
Base-Base interactions energy: -122.318
where: short stacking energy: -64.429
Base-Backbone interact. energy: -0.210
local terms energy: -66.872587
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -12.507
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: 10, replica: 2
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -131.479946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.479946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.479946 (E_RNA)
where:
Base-Base interactions energy: -78.500
where: short stacking energy: -42.091
Base-Backbone interact. energy: -0.148
local terms energy: -52.832031
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -2.360
tors. eta vs tors. theta energy: -4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -317.223528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.223528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.223528 (E_RNA)
where:
Base-Base interactions energy: -226.153
where: short stacking energy: -104.902
Base-Backbone interact. energy: -0.023
local terms energy: -91.047623
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -25.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -314.179263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.179263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.179263 (E_RNA)
where:
Base-Base interactions energy: -224.219
where: short stacking energy: -95.572
Base-Backbone interact. energy: -0.157
local terms energy: -89.803970
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -26.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -312.749714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.749714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.749714 (E_RNA)
where:
Base-Base interactions energy: -221.555
where: short stacking energy: -101.769
Base-Backbone interact. energy: -0.002
local terms energy: -91.193180
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -25.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -259.767823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.767823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.767823 (E_RNA)
where:
Base-Base interactions energy: -180.013
where: short stacking energy: -85.470
Base-Backbone interact. energy: -0.003
local terms energy: -79.751210
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -14.647
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: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -265.471570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.471570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.471570 (E_RNA)
where:
Base-Base interactions energy: -191.519
where: short stacking energy: -94.626
Base-Backbone interact. energy: -0.256
local terms energy: -73.697084
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -241.560907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.560907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.560907 (E_RNA)
where:
Base-Base interactions energy: -171.967
where: short stacking energy: -74.153
Base-Backbone interact. energy: 0.189
local terms energy: -69.782607
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -13.188
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: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -242.084242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.084242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.084242 (E_RNA)
where:
Base-Base interactions energy: -177.366
where: short stacking energy: -67.445
Base-Backbone interact. energy: -0.139
local terms energy: -64.579113
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -200.224822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.224822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.224822 (E_RNA)
where:
Base-Base interactions energy: -137.225
where: short stacking energy: -56.828
Base-Backbone interact. energy: -0.472
local terms energy: -62.527066
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -232.509131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.509131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.509131 (E_RNA)
where:
Base-Base interactions energy: -164.142
where: short stacking energy: -55.305
Base-Backbone interact. energy: -0.515
local terms energy: -67.851785
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -177.318114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.318114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.318114 (E_RNA)
where:
Base-Base interactions energy: -113.887
where: short stacking energy: -50.189
Base-Backbone interact. energy: -0.101
local terms energy: -63.329637
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -12.093
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: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -311.911197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.911197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.911197 (E_RNA)
where:
Base-Base interactions energy: -221.835
where: short stacking energy: -101.788
Base-Backbone interact. energy: -0.005
local terms energy: -90.070916
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -25.568
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: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -310.271644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.271644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.271644 (E_RNA)
where:
Base-Base interactions energy: -217.117
where: short stacking energy: -92.542
Base-Backbone interact. energy: -0.099
local terms energy: -93.055535
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -28.597
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: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -307.690440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.690440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.690440 (E_RNA)
where:
Base-Base interactions energy: -218.561
where: short stacking energy: -103.748
Base-Backbone interact. energy: -0.000
local terms energy: -89.128836
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -26.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -262.453222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.453222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.453222 (E_RNA)
where:
Base-Base interactions energy: -190.317
where: short stacking energy: -78.166
Base-Backbone interact. energy: -0.041
local terms energy: -72.094603
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -21.180
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: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -249.116923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.116923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.116923 (E_RNA)
where:
Base-Base interactions energy: -186.383
where: short stacking energy: -76.125
Base-Backbone interact. energy: 0.748
local terms energy: -63.482831
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -272.826579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.826579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.826579 (E_RNA)
where:
Base-Base interactions energy: -193.584
where: short stacking energy: -87.390
Base-Backbone interact. energy: -0.414
local terms energy: -78.828287
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -8.270
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: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -240.098055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.098055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.098055 (E_RNA)
where:
Base-Base interactions energy: -173.368
where: short stacking energy: -71.243
Base-Backbone interact. energy: -0.700
local terms energy: -66.029231
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -218.925116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.925116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.925116 (E_RNA)
where:
Base-Base interactions energy: -140.752
where: short stacking energy: -82.331
Base-Backbone interact. energy: -0.167
local terms energy: -78.005634
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -19.679
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: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -230.882428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.882428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.882428 (E_RNA)
where:
Base-Base interactions energy: -162.048
where: short stacking energy: -66.680
Base-Backbone interact. energy: -0.655
local terms energy: -68.179061
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -11.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -166.858895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.858895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.858895 (E_RNA)
where:
Base-Base interactions energy: -105.467
where: short stacking energy: -59.115
Base-Backbone interact. energy: -0.215
local terms energy: -61.176410
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -314.670855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.670855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.670855 (E_RNA)
where:
Base-Base interactions energy: -222.511
where: short stacking energy: -100.959
Base-Backbone interact. energy: 0.356
local terms energy: -92.515574
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -26.282
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: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -305.792658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.792658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.792658 (E_RNA)
where:
Base-Base interactions energy: -227.982
where: short stacking energy: -85.532
Base-Backbone interact. energy: -0.138
local terms energy: -77.672923
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -23.276
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: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -303.672996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.672996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.672996 (E_RNA)
where:
Base-Base interactions energy: -226.053
where: short stacking energy: -101.004
Base-Backbone interact. energy: 1.052
local terms energy: -78.672361
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -23.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -247.342092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.342092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.342092 (E_RNA)
where:
Base-Base interactions energy: -164.363
where: short stacking energy: -79.509
Base-Backbone interact. energy: -0.008
local terms energy: -82.971204
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -253.395204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.395204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.395204 (E_RNA)
where:
Base-Base interactions energy: -174.039
where: short stacking energy: -74.938
Base-Backbone interact. energy: -0.046
local terms energy: -79.310140
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -245.968741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.968741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.968741 (E_RNA)
where:
Base-Base interactions energy: -173.375
where: short stacking energy: -75.396
Base-Backbone interact. energy: 0.612
local terms energy: -73.205579
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -19.112
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: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -261.456521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.456521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.456521 (E_RNA)
where:
Base-Base interactions energy: -191.240
where: short stacking energy: -83.095
Base-Backbone interact. energy: -0.192
local terms energy: -70.024976
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -243.916225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.916225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.916225 (E_RNA)
where:
Base-Base interactions energy: -183.014
where: short stacking energy: -80.124
Base-Backbone interact. energy: -0.400
local terms energy: -60.501750
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -3.311
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: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -199.051869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.051869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.051869 (E_RNA)
where:
Base-Base interactions energy: -126.699
where: short stacking energy: -70.021
Base-Backbone interact. energy: -0.071
local terms energy: -72.282238
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -13.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -153.763143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.763143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.763143 (E_RNA)
where:
Base-Base interactions energy: -89.284
where: short stacking energy: -38.446
Base-Backbone interact. energy: -0.805
local terms energy: -63.674310
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -6.793
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: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -318.710539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.710539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.710539 (E_RNA)
where:
Base-Base interactions energy: -227.190
where: short stacking energy: -109.347
Base-Backbone interact. energy: -0.000
local terms energy: -91.520541
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -313.914986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.914986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.914986 (E_RNA)
where:
Base-Base interactions energy: -222.878
where: short stacking energy: -99.651
Base-Backbone interact. energy: 0.037
local terms energy: -91.073925
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -24.898
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: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -313.885679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.885679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.885679 (E_RNA)
where:
Base-Base interactions energy: -221.915
where: short stacking energy: -105.935
Base-Backbone interact. energy: -0.001
local terms energy: -91.969277
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -26.057
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: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -261.934015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.934015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.934015 (E_RNA)
where:
Base-Base interactions energy: -179.913
where: short stacking energy: -85.701
Base-Backbone interact. energy: -0.095
local terms energy: -81.926245
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -250.606813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.606813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.606813 (E_RNA)
where:
Base-Base interactions energy: -179.696
where: short stacking energy: -74.494
Base-Backbone interact. energy: -0.254
local terms energy: -70.656709
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -248.776770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.776770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.776770 (E_RNA)
where:
Base-Base interactions energy: -172.545
where: short stacking energy: -79.878
Base-Backbone interact. energy: -0.736
local terms energy: -75.496157
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -16.775
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: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -242.006541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.006541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.006541 (E_RNA)
where:
Base-Base interactions energy: -164.737
where: short stacking energy: -69.663
Base-Backbone interact. energy: 0.079
local terms energy: -77.348703
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -249.358148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.358148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.358148 (E_RNA)
where:
Base-Base interactions energy: -186.564
where: short stacking energy: -72.477
Base-Backbone interact. energy: -0.459
local terms energy: -62.335022
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -7.758
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -11.462
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: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -169.985095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.985095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.985095 (E_RNA)
where:
Base-Base interactions energy: -104.157
where: short stacking energy: -56.057
Base-Backbone interact. energy: -0.840
local terms energy: -64.987388
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -210.134495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.134495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.134495 (E_RNA)
where:
Base-Base interactions energy: -148.165
where: short stacking energy: -71.728
Base-Backbone interact. energy: -0.221
local terms energy: -61.748247
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -313.963528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.963528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.963528 (E_RNA)
where:
Base-Base interactions energy: -229.410
where: short stacking energy: -99.233
Base-Backbone interact. energy: -0.042
local terms energy: -84.510810
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -315.886452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.886452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.886452 (E_RNA)
where:
Base-Base interactions energy: -231.410
where: short stacking energy: -105.787
Base-Backbone interact. energy: -0.000
local terms energy: -84.476566
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -24.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -302.372382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.372382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.372382 (E_RNA)
where:
Base-Base interactions energy: -221.203
where: short stacking energy: -97.351
Base-Backbone interact. energy: 1.431
local terms energy: -82.600971
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -25.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -248.549200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.549200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.549200 (E_RNA)
where:
Base-Base interactions energy: -172.528
where: short stacking energy: -74.957
Base-Backbone interact. energy: 1.382
local terms energy: -77.403611
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -250.743515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.743515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.743515 (E_RNA)
where:
Base-Base interactions energy: -170.453
where: short stacking energy: -70.195
Base-Backbone interact. energy: -0.372
local terms energy: -79.918481
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -20.049
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: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -260.925234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.925234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.925234 (E_RNA)
where:
Base-Base interactions energy: -180.789
where: short stacking energy: -72.764
Base-Backbone interact. energy: -1.733
local terms energy: -78.403311
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -8.940
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: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -237.763385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.763385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.763385 (E_RNA)
where:
Base-Base interactions energy: -157.415
where: short stacking energy: -69.432
Base-Backbone interact. energy: -1.464
local terms energy: -78.883997
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -259.773374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.773374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.773374 (E_RNA)
where:
Base-Base interactions energy: -186.966
where: short stacking energy: -67.808
Base-Backbone interact. energy: -0.482
local terms energy: -72.325102
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -9.558
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: 165
Temperature: 1.300000
Total energy: -182.253676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.253676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.253676 (E_RNA)
where:
Base-Base interactions energy: -127.832
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.509
local terms energy: -53.912641
where:
bonds (distance) C4'-P energy: -4.321
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -205.244509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.244509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.244509 (E_RNA)
where:
Base-Base interactions energy: -139.526
where: short stacking energy: -72.307
Base-Backbone interact. energy: -0.109
local terms energy: -65.610405
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -7.491
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -313.477946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.477946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.477946 (E_RNA)
where:
Base-Base interactions energy: -222.549
where: short stacking energy: -96.557
Base-Backbone interact. energy: -0.013
local terms energy: -90.915239
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -25.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -308.864400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.864400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.864400 (E_RNA)
where:
Base-Base interactions energy: -217.510
where: short stacking energy: -94.019
Base-Backbone interact. energy: -0.214
local terms energy: -91.141255
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -311.365004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.365004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.365004 (E_RNA)
where:
Base-Base interactions energy: -221.939
where: short stacking energy: -90.804
Base-Backbone interact. energy: -0.453
local terms energy: -88.973146
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -253.268413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.268413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.268413 (E_RNA)
where:
Base-Base interactions energy: -182.800
where: short stacking energy: -82.900
Base-Backbone interact. energy: -0.062
local terms energy: -70.406411
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -17.286
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: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -263.596923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.596923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.596923 (E_RNA)
where:
Base-Base interactions energy: -180.625
where: short stacking energy: -77.916
Base-Backbone interact. energy: -0.860
local terms energy: -82.112712
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -248.121272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.121272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.121272 (E_RNA)
where:
Base-Base interactions energy: -182.331
where: short stacking energy: -73.650
Base-Backbone interact. energy: 0.445
local terms energy: -66.235300
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -260.961845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.961845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.961845 (E_RNA)
where:
Base-Base interactions energy: -184.993
where: short stacking energy: -77.410
Base-Backbone interact. energy: -0.870
local terms energy: -75.098495
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -12.309
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: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -242.645800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.645800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.645800 (E_RNA)
where:
Base-Base interactions energy: -174.371
where: short stacking energy: -76.188
Base-Backbone interact. energy: 0.894
local terms energy: -69.168582
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -13.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -212.960064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.960064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.960064 (E_RNA)
where:
Base-Base interactions energy: -155.075
where: short stacking energy: -57.668
Base-Backbone interact. energy: 2.206
local terms energy: -60.090607
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -9.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -163.739036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.739036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.739036 (E_RNA)
where:
Base-Base interactions energy: -97.100
where: short stacking energy: -57.779
Base-Backbone interact. energy: -1.210
local terms energy: -65.428969
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -11.952
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: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -324.484640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.484640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.484640 (E_RNA)
where:
Base-Base interactions energy: -236.483
where: short stacking energy: -106.105
Base-Backbone interact. energy: -0.000
local terms energy: -88.001284
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -24.512
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: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -320.194527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.194527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.194527 (E_RNA)
where:
Base-Base interactions energy: -233.044
where: short stacking energy: -99.652
Base-Backbone interact. energy: -0.019
local terms energy: -87.131549
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -24.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -303.976512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.976512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.976512 (E_RNA)
where:
Base-Base interactions energy: -211.872
where: short stacking energy: -94.925
Base-Backbone interact. energy: -0.031
local terms energy: -92.073503
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -23.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -260.969025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.969025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.969025 (E_RNA)
where:
Base-Base interactions energy: -180.122
where: short stacking energy: -87.675
Base-Backbone interact. energy: -1.393
local terms energy: -79.453703
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -251.781298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.781298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.781298 (E_RNA)
where:
Base-Base interactions energy: -183.243
where: short stacking energy: -75.950
Base-Backbone interact. energy: -0.131
local terms energy: -68.407783
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -269.594289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.594289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.594289 (E_RNA)
where:
Base-Base interactions energy: -199.823
where: short stacking energy: -85.081
Base-Backbone interact. energy: -0.294
local terms energy: -69.477015
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -13.282
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: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -231.494952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.494952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.494952 (E_RNA)
where:
Base-Base interactions energy: -162.280
where: short stacking energy: -60.468
Base-Backbone interact. energy: -1.838
local terms energy: -67.376905
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -237.494853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.494853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.494853 (E_RNA)
where:
Base-Base interactions energy: -165.529
where: short stacking energy: -66.431
Base-Backbone interact. energy: -0.353
local terms energy: -71.612889
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -11.501
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: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -193.310286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.310286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.310286 (E_RNA)
where:
Base-Base interactions energy: -132.270
where: short stacking energy: -62.853
Base-Backbone interact. energy: -0.153
local terms energy: -60.887952
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -164.358349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.358349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.358349 (E_RNA)
where:
Base-Base interactions energy: -99.473
where: short stacking energy: -48.434
Base-Backbone interact. energy: 1.246
local terms energy: -66.131580
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -316.949784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.949784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.949784 (E_RNA)
where:
Base-Base interactions energy: -221.033
where: short stacking energy: -93.196
Base-Backbone interact. energy: -0.323
local terms energy: -95.594098
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -26.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -312.489998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.489998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.489998 (E_RNA)
where:
Base-Base interactions energy: -220.940
where: short stacking energy: -92.716
Base-Backbone interact. energy: 0.004
local terms energy: -91.553923
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -306.718418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.718418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.718418 (E_RNA)
where:
Base-Base interactions energy: -219.371
where: short stacking energy: -88.366
Base-Backbone interact. energy: -0.297
local terms energy: -87.050609
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -24.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -254.034621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.034621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.034621 (E_RNA)
where:
Base-Base interactions energy: -180.538
where: short stacking energy: -75.549
Base-Backbone interact. energy: -0.549
local terms energy: -72.947572
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -267.896893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.896893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.896893 (E_RNA)
where:
Base-Base interactions energy: -195.773
where: short stacking energy: -80.019
Base-Backbone interact. energy: -0.444
local terms energy: -71.679869
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -11.243
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: 6, replica: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -245.181454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.181454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.181454 (E_RNA)
where:
Base-Base interactions energy: -179.132
where: short stacking energy: -79.081
Base-Backbone interact. energy: 0.170
local terms energy: -66.219210
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -233.933915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.933915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.933915 (E_RNA)
where:
Base-Base interactions energy: -164.245
where: short stacking energy: -68.253
Base-Backbone interact. energy: -0.139
local terms energy: -69.550420
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -9.693
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: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -236.169693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.169693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.169693 (E_RNA)
where:
Base-Base interactions energy: -161.473
where: short stacking energy: -72.945
Base-Backbone interact. energy: 0.510
local terms energy: -75.207118
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -205.411753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.411753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.411753 (E_RNA)
where:
Base-Base interactions energy: -130.157
where: short stacking energy: -65.951
Base-Backbone interact. energy: -0.610
local terms energy: -74.645488
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -18.389
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: 168
Temperature: 1.350000
Total energy: -163.126328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.126328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.126328 (E_RNA)
where:
Base-Base interactions energy: -105.111
where: short stacking energy: -45.319
Base-Backbone interact. energy: -0.511
local terms energy: -57.504173
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -2.997
tors. eta vs tors. theta energy: -7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -315.567762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.567762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.567762 (E_RNA)
where:
Base-Base interactions energy: -227.329
where: short stacking energy: -96.070
Base-Backbone interact. energy: -0.061
local terms energy: -88.177295
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -25.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -324.747534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.747534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.747534 (E_RNA)
where:
Base-Base interactions energy: -230.872
where: short stacking energy: -103.952
Base-Backbone interact. energy: -0.133
local terms energy: -93.742394
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -25.758
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: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -298.309033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.309033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.309033 (E_RNA)
where:
Base-Base interactions energy: -217.630
where: short stacking energy: -87.545
Base-Backbone interact. energy: 1.307
local terms energy: -81.985801
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -273.181299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.181299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.181299 (E_RNA)
where:
Base-Base interactions energy: -199.477
where: short stacking energy: -84.546
Base-Backbone interact. energy: -1.679
local terms energy: -72.024955
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -243.639030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.639030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.639030 (E_RNA)
where:
Base-Base interactions energy: -164.984
where: short stacking energy: -65.089
Base-Backbone interact. energy: 1.174
local terms energy: -79.828946
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -243.489692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.489692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.489692 (E_RNA)
where:
Base-Base interactions energy: -174.045
where: short stacking energy: -74.654
Base-Backbone interact. energy: 0.253
local terms energy: -69.697575
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -242.260743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.260743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.260743 (E_RNA)
where:
Base-Base interactions energy: -175.242
where: short stacking energy: -77.051
Base-Backbone interact. energy: -0.003
local terms energy: -67.015697
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -199.293981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.293981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.293981 (E_RNA)
where:
Base-Base interactions energy: -131.783
where: short stacking energy: -63.703
Base-Backbone interact. energy: -0.183
local terms energy: -67.328490
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -11.728
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: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -220.155604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.155604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.155604 (E_RNA)
where:
Base-Base interactions energy: -155.896
where: short stacking energy: -66.604
Base-Backbone interact. energy: -0.008
local terms energy: -64.251955
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -7.875
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -152.711295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.711295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.711295 (E_RNA)
where:
Base-Base interactions energy: -89.287
where: short stacking energy: -50.472
Base-Backbone interact. energy: 2.422
local terms energy: -65.846416
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -317.347451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.347451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.347451 (E_RNA)
where:
Base-Base interactions energy: -225.432
where: short stacking energy: -96.243
Base-Backbone interact. energy: -0.081
local terms energy: -91.834852
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -26.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -319.745003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.745003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.745003 (E_RNA)
where:
Base-Base interactions energy: -233.379
where: short stacking energy: -103.566
Base-Backbone interact. energy: -0.015
local terms energy: -86.351348
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -24.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -306.312682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.312682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.312682 (E_RNA)
where:
Base-Base interactions energy: -219.095
where: short stacking energy: -99.879
Base-Backbone interact. energy: -0.237
local terms energy: -86.980480
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -21.944
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: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -279.289192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.289192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.289192 (E_RNA)
where:
Base-Base interactions energy: -198.767
where: short stacking energy: -71.692
Base-Backbone interact. energy: -0.439
local terms energy: -80.082705
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -245.326521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.326521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.326521 (E_RNA)
where:
Base-Base interactions energy: -166.812
where: short stacking energy: -70.008
Base-Backbone interact. energy: -2.183
local terms energy: -76.331916
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -17.892
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: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -242.174011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.174011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.174011 (E_RNA)
where:
Base-Base interactions energy: -166.229
where: short stacking energy: -80.483
Base-Backbone interact. energy: 0.377
local terms energy: -76.321641
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -12.980
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: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -246.468321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.468321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.468321 (E_RNA)
where:
Base-Base interactions energy: -172.422
where: short stacking energy: -75.463
Base-Backbone interact. energy: -0.762
local terms energy: -73.284422
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -196.723870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.723870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.723870 (E_RNA)
where:
Base-Base interactions energy: -136.709
where: short stacking energy: -66.332
Base-Backbone interact. energy: -0.069
local terms energy: -59.946280
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -187.002343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.002343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.002343 (E_RNA)
where:
Base-Base interactions energy: -129.423
where: short stacking energy: -55.628
Base-Backbone interact. energy: -0.330
local terms energy: -57.249263
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -217.335227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.335227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.335227 (E_RNA)
where:
Base-Base interactions energy: -146.591
where: short stacking energy: -56.074
Base-Backbone interact. energy: -0.006
local terms energy: -70.738880
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -12.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -328.180007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.180007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.180007 (E_RNA)
where:
Base-Base interactions energy: -245.601
where: short stacking energy: -104.082
Base-Backbone interact. energy: -1.105
local terms energy: -81.473528
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -27.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -308.765385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.765385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.765385 (E_RNA)
where:
Base-Base interactions energy: -222.986
where: short stacking energy: -95.336
Base-Backbone interact. energy: -0.002
local terms energy: -85.778161
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -24.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -309.341049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.341049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.341049 (E_RNA)
where:
Base-Base interactions energy: -230.223
where: short stacking energy: -98.829
Base-Backbone interact. energy: -0.022
local terms energy: -79.096435
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -24.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -263.476718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.476718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.476718 (E_RNA)
where:
Base-Base interactions energy: -189.660
where: short stacking energy: -81.608
Base-Backbone interact. energy: -0.352
local terms energy: -73.464482
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -272.403822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.403822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.403822 (E_RNA)
where:
Base-Base interactions energy: -198.244
where: short stacking energy: -80.266
Base-Backbone interact. energy: -0.258
local terms energy: -73.902433
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -13.128
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: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -263.993086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.993086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.993086 (E_RNA)
where:
Base-Base interactions energy: -190.759
where: short stacking energy: -81.258
Base-Backbone interact. energy: -0.262
local terms energy: -72.971982
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -248.899198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.899198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.899198 (E_RNA)
where:
Base-Base interactions energy: -196.187
where: short stacking energy: -80.448
Base-Backbone interact. energy: 0.467
local terms energy: -53.180064
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -8.800
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: 1.056
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -213.194850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.194850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.194850 (E_RNA)
where:
Base-Base interactions energy: -145.297
where: short stacking energy: -61.023
Base-Backbone interact. energy: -1.004
local terms energy: -66.893799
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -183.041364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.041364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.041364 (E_RNA)
where:
Base-Base interactions energy: -124.365
where: short stacking energy: -62.851
Base-Backbone interact. energy: 0.315
local terms energy: -58.991551
where:
bonds (distance) C4'-P energy: -4.942
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -9.955
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: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -221.239261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.239261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.239261 (E_RNA)
where:
Base-Base interactions energy: -153.188
where: short stacking energy: -65.137
Base-Backbone interact. energy: -0.342
local terms energy: -67.709469
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -9.165
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: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -312.231181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.231181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.231181 (E_RNA)
where:
Base-Base interactions energy: -222.165
where: short stacking energy: -105.908
Base-Backbone interact. energy: -0.002
local terms energy: -90.064458
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -26.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -314.199008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.199008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.199008 (E_RNA)
where:
Base-Base interactions energy: -224.860
where: short stacking energy: -108.868
Base-Backbone interact. energy: -0.156
local terms energy: -89.182332
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -27.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -310.617085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.617085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.617085 (E_RNA)
where:
Base-Base interactions energy: -218.341
where: short stacking energy: -97.679
Base-Backbone interact. energy: -0.036
local terms energy: -92.240386
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -266.545383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.545383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.545383 (E_RNA)
where:
Base-Base interactions energy: -187.688
where: short stacking energy: -77.792
Base-Backbone interact. energy: -0.509
local terms energy: -78.348828
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -11.664
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: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -263.883940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.883940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.883940 (E_RNA)
where:
Base-Base interactions energy: -181.500
where: short stacking energy: -81.765
Base-Backbone interact. energy: -0.439
local terms energy: -81.945617
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -259.150901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.150901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.150901 (E_RNA)
where:
Base-Base interactions energy: -184.512
where: short stacking energy: -72.230
Base-Backbone interact. energy: -0.428
local terms energy: -74.211294
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -14.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -232.034596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.034596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.034596 (E_RNA)
where:
Base-Base interactions energy: -164.383
where: short stacking energy: -75.717
Base-Backbone interact. energy: -0.098
local terms energy: -67.553609
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -10.692
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: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -205.088600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.088600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.088600 (E_RNA)
where:
Base-Base interactions energy: -140.400
where: short stacking energy: -53.841
Base-Backbone interact. energy: -0.180
local terms energy: -64.507701
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -214.550634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.550634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.550634 (E_RNA)
where:
Base-Base interactions energy: -157.061
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.157
local terms energy: -57.333185
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -192.113602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.113602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.113602 (E_RNA)
where:
Base-Base interactions energy: -133.583
where: short stacking energy: -72.412
Base-Backbone interact. energy: -0.063
local terms energy: -58.468247
where:
bonds (distance) C4'-P energy: -6.350
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -10.647
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: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -320.291270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.291270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.291270 (E_RNA)
where:
Base-Base interactions energy: -233.145
where: short stacking energy: -101.454
Base-Backbone interact. energy: -0.477
local terms energy: -86.668971
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -24.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -311.959242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.959242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.959242 (E_RNA)
where:
Base-Base interactions energy: -223.715
where: short stacking energy: -98.396
Base-Backbone interact. energy: -0.402
local terms energy: -87.842949
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -20.971
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: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -317.847198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.847198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.847198 (E_RNA)
where:
Base-Base interactions energy: -231.518
where: short stacking energy: -98.248
Base-Backbone interact. energy: -0.084
local terms energy: -86.245446
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -271.267885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.267885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.267885 (E_RNA)
where:
Base-Base interactions energy: -189.966
where: short stacking energy: -83.774
Base-Backbone interact. energy: -0.627
local terms energy: -80.675102
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -251.652989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.652989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.652989 (E_RNA)
where:
Base-Base interactions energy: -177.746
where: short stacking energy: -80.029
Base-Backbone interact. energy: -0.192
local terms energy: -73.714431
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -13.952
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: 6, replica: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -268.338150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.338150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.338150 (E_RNA)
where:
Base-Base interactions energy: -199.098
where: short stacking energy: -79.190
Base-Backbone interact. energy: -0.160
local terms energy: -69.079834
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -8.354
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -230.397826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.397826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.397826 (E_RNA)
where:
Base-Base interactions energy: -162.479
where: short stacking energy: -77.548
Base-Backbone interact. energy: 0.368
local terms energy: -68.287234
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -233.008335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.008335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.008335 (E_RNA)
where:
Base-Base interactions energy: -162.236
where: short stacking energy: -66.352
Base-Backbone interact. energy: -0.260
local terms energy: -70.512356
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -9.398
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: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -184.799786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.799786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.799786 (E_RNA)
where:
Base-Base interactions energy: -122.630
where: short stacking energy: -48.325
Base-Backbone interact. energy: 0.180
local terms energy: -62.350020
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -8.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -206.108548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.108548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.108548 (E_RNA)
where:
Base-Base interactions energy: -140.181
where: short stacking energy: -60.726
Base-Backbone interact. energy: -0.209
local terms energy: -65.717968
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -8.879
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: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -314.272619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.272619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.272619 (E_RNA)
where:
Base-Base interactions energy: -223.123
where: short stacking energy: -107.522
Base-Backbone interact. energy: -0.041
local terms energy: -91.108355
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -27.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -316.757721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.757721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.757721 (E_RNA)
where:
Base-Base interactions energy: -225.803
where: short stacking energy: -96.626
Base-Backbone interact. energy: -0.003
local terms energy: -90.951651
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -25.426
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: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -305.694635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.694635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.694635 (E_RNA)
where:
Base-Base interactions energy: -218.859
where: short stacking energy: -100.852
Base-Backbone interact. energy: -0.001
local terms energy: -86.834616
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -23.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -261.250523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.250523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.250523 (E_RNA)
where:
Base-Base interactions energy: -184.110
where: short stacking energy: -75.806
Base-Backbone interact. energy: 0.450
local terms energy: -77.590372
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -272.691214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.691214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.691214 (E_RNA)
where:
Base-Base interactions energy: -200.592
where: short stacking energy: -80.967
Base-Backbone interact. energy: -0.379
local terms energy: -71.719857
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -239.418446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.418446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.418446 (E_RNA)
where:
Base-Base interactions energy: -165.872
where: short stacking energy: -62.523
Base-Backbone interact. energy: -1.148
local terms energy: -72.398680
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -12.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -231.899209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.899209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.899209 (E_RNA)
where:
Base-Base interactions energy: -158.030
where: short stacking energy: -74.969
Base-Backbone interact. energy: -0.037
local terms energy: -73.832172
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -10.880
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: 8, replica: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -230.972810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.972810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.972810 (E_RNA)
where:
Base-Base interactions energy: -164.544
where: short stacking energy: -68.485
Base-Backbone interact. energy: -0.071
local terms energy: -66.358055
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -12.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -218.057872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.057872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.057872 (E_RNA)
where:
Base-Base interactions energy: -150.727
where: short stacking energy: -63.706
Base-Backbone interact. energy: -0.126
local terms energy: -67.205148
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -169.867852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.867852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.867852 (E_RNA)
where:
Base-Base interactions energy: -126.012
where: short stacking energy: -52.664
Base-Backbone interact. energy: 1.023
local terms energy: -44.879048
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -8.808
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -315.657628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.657628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.657628 (E_RNA)
where:
Base-Base interactions energy: -229.594
where: short stacking energy: -106.882
Base-Backbone interact. energy: -0.002
local terms energy: -86.062126
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -309.274684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.274684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.274684 (E_RNA)
where:
Base-Base interactions energy: -226.242
where: short stacking energy: -88.936
Base-Backbone interact. energy: -0.034
local terms energy: -82.999628
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -319.286910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.286910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.286910 (E_RNA)
where:
Base-Base interactions energy: -230.935
where: short stacking energy: -94.772
Base-Backbone interact. energy: -0.042
local terms energy: -88.309751
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -25.759
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: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -285.929617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.929617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.929617 (E_RNA)
where:
Base-Base interactions energy: -203.635
where: short stacking energy: -86.140
Base-Backbone interact. energy: -0.715
local terms energy: -81.579736
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -19.795
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: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -269.319802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.319802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.319802 (E_RNA)
where:
Base-Base interactions energy: -196.189
where: short stacking energy: -80.400
Base-Backbone interact. energy: -0.312
local terms energy: -72.818631
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -254.505350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.505350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.505350 (E_RNA)
where:
Base-Base interactions energy: -175.339
where: short stacking energy: -71.852
Base-Backbone interact. energy: 1.189
local terms energy: -80.354876
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -252.149411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.149411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.149411 (E_RNA)
where:
Base-Base interactions energy: -185.096
where: short stacking energy: -71.314
Base-Backbone interact. energy: 0.314
local terms energy: -67.367256
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -14.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -224.563996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.563996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.563996 (E_RNA)
where:
Base-Base interactions energy: -150.784
where: short stacking energy: -71.462
Base-Backbone interact. energy: 1.412
local terms energy: -75.191817
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -226.347186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.347186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.347186 (E_RNA)
where:
Base-Base interactions energy: -165.538
where: short stacking energy: -73.410
Base-Backbone interact. energy: 0.182
local terms energy: -60.991326
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: -9.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -156.494170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.494170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.494170 (E_RNA)
where:
Base-Base interactions energy: -107.593
where: short stacking energy: -60.275
Base-Backbone interact. energy: 1.129
local terms energy: -50.029893
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -4.654
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -10.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -313.850990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.850990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.850990 (E_RNA)
where:
Base-Base interactions energy: -221.503
where: short stacking energy: -99.514
Base-Backbone interact. energy: 0.168
local terms energy: -92.516023
where:
bonds (distance) C4'-P energy: -20.188
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -25.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -309.685555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.685555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.685555 (E_RNA)
where:
Base-Base interactions energy: -228.247
where: short stacking energy: -90.877
Base-Backbone interact. energy: -0.061
local terms energy: -81.377596
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -22.447
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: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -307.177441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.177441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.177441 (E_RNA)
where:
Base-Base interactions energy: -221.247
where: short stacking energy: -94.987
Base-Backbone interact. energy: -0.577
local terms energy: -85.353286
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -22.442
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: 176
Temperature: 1.050000
Total energy: -276.989724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.989724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.989724 (E_RNA)
where:
Base-Base interactions energy: -201.590
where: short stacking energy: -79.932
Base-Backbone interact. energy: -0.406
local terms energy: -74.994246
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -16.865
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: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -254.993518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.993518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.993518 (E_RNA)
where:
Base-Base interactions energy: -185.394
where: short stacking energy: -81.144
Base-Backbone interact. energy: 3.194
local terms energy: -72.793328
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -10.110
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: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -250.409133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.409133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.409133 (E_RNA)
where:
Base-Base interactions energy: -181.746
where: short stacking energy: -72.965
Base-Backbone interact. energy: -0.262
local terms energy: -68.401058
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -12.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -252.717830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.717830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.717830 (E_RNA)
where:
Base-Base interactions energy: -183.366
where: short stacking energy: -83.975
Base-Backbone interact. energy: -0.054
local terms energy: -69.297485
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -241.785913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.785913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.785913 (E_RNA)
where:
Base-Base interactions energy: -163.205
where: short stacking energy: -78.999
Base-Backbone interact. energy: -0.757
local terms energy: -77.824668
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -167.176256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.176256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.176256 (E_RNA)
where:
Base-Base interactions energy: -108.270
where: short stacking energy: -50.758
Base-Backbone interact. energy: -0.303
local terms energy: -58.602977
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -4.621
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: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -228.982972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.982972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.982972 (E_RNA)
where:
Base-Base interactions energy: -171.743
where: short stacking energy: -67.757
Base-Backbone interact. energy: -0.312
local terms energy: -56.927815
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -7.235
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -312.566213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.566213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.566213 (E_RNA)
where:
Base-Base interactions energy: -217.682
where: short stacking energy: -99.510
Base-Backbone interact. energy: -0.001
local terms energy: -94.883591
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -26.560
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: 177
Temperature: 0.950000
Total energy: -312.678353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.678353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.678353 (E_RNA)
where:
Base-Base interactions energy: -225.107
where: short stacking energy: -95.594
Base-Backbone interact. energy: -0.076
local terms energy: -87.495621
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -302.699422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.699422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.699422 (E_RNA)
where:
Base-Base interactions energy: -213.043
where: short stacking energy: -96.175
Base-Backbone interact. energy: -0.034
local terms energy: -89.622976
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -24.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -278.383744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.383744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.383744 (E_RNA)
where:
Base-Base interactions energy: -205.577
where: short stacking energy: -77.868
Base-Backbone interact. energy: -0.192
local terms energy: -72.614917
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -8.420
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -17.454
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: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -248.109229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.109229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.109229 (E_RNA)
where:
Base-Base interactions energy: -184.005
where: short stacking energy: -75.184
Base-Backbone interact. energy: -0.214
local terms energy: -63.890851
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -247.234931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.234931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.234931 (E_RNA)
where:
Base-Base interactions energy: -178.547
where: short stacking energy: -74.569
Base-Backbone interact. energy: -1.297
local terms energy: -67.391581
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -237.297623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.297623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.297623 (E_RNA)
where:
Base-Base interactions energy: -168.237
where: short stacking energy: -71.381
Base-Backbone interact. energy: -1.002
local terms energy: -68.058489
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -12.051
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: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -234.666702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.666702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.666702 (E_RNA)
where:
Base-Base interactions energy: -159.082
where: short stacking energy: -78.821
Base-Backbone interact. energy: 0.562
local terms energy: -76.146815
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -17.503
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: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -164.001434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.001434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.001434 (E_RNA)
where:
Base-Base interactions energy: -100.783
where: short stacking energy: -58.974
Base-Backbone interact. energy: -0.142
local terms energy: -63.076595
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -9.098
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: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -209.056090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.056090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.056090 (E_RNA)
where:
Base-Base interactions energy: -137.147
where: short stacking energy: -56.660
Base-Backbone interact. energy: -2.344
local terms energy: -69.564951
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -313.413955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.413955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.413955 (E_RNA)
where:
Base-Base interactions energy: -220.862
where: short stacking energy: -96.985
Base-Backbone interact. energy: -0.214
local terms energy: -92.338482
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -25.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -314.559446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.559446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.559446 (E_RNA)
where:
Base-Base interactions energy: -227.999
where: short stacking energy: -94.509
Base-Backbone interact. energy: -0.289
local terms energy: -86.271851
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -26.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -309.128135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.128135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.128135 (E_RNA)
where:
Base-Base interactions energy: -225.981
where: short stacking energy: -94.880
Base-Backbone interact. energy: -0.012
local terms energy: -83.134719
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -23.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -274.913906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.913906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.913906 (E_RNA)
where:
Base-Base interactions energy: -212.114
where: short stacking energy: -75.351
Base-Backbone interact. energy: -0.735
local terms energy: -62.064252
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -4.859
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: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -252.588334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.588334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.588334 (E_RNA)
where:
Base-Base interactions energy: -179.374
where: short stacking energy: -78.086
Base-Backbone interact. energy: -1.927
local terms energy: -71.286939
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -223.633382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.633382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.633382 (E_RNA)
where:
Base-Base interactions energy: -151.035
where: short stacking energy: -72.998
Base-Backbone interact. energy: -0.994
local terms energy: -71.604790
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -11.958
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: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -250.730324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.730324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.730324 (E_RNA)
where:
Base-Base interactions energy: -169.518
where: short stacking energy: -81.696
Base-Backbone interact. energy: -0.574
local terms energy: -80.638931
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -228.301255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.301255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.301255 (E_RNA)
where:
Base-Base interactions energy: -161.831
where: short stacking energy: -75.426
Base-Backbone interact. energy: 0.068
local terms energy: -66.538426
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -234.513675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.513675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.513675 (E_RNA)
where:
Base-Base interactions energy: -178.671
where: short stacking energy: -77.515
Base-Backbone interact. energy: 0.110
local terms energy: -55.952175
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -2.151
tors. eta vs tors. theta energy: -15.511
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: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -154.820090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.820090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.820090 (E_RNA)
where:
Base-Base interactions energy: -105.543
where: short stacking energy: -39.671
Base-Backbone interact. energy: -0.389
local terms energy: -48.888079
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -6.567
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: 6
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -314.486308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.486308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.486308 (E_RNA)
where:
Base-Base interactions energy: -225.622
where: short stacking energy: -93.092
Base-Backbone interact. energy: -0.072
local terms energy: -88.792716
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -25.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -311.474796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.474796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.474796 (E_RNA)
where:
Base-Base interactions energy: -223.584
where: short stacking energy: -103.452
Base-Backbone interact. energy: -0.020
local terms energy: -87.871199
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -23.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -297.127870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.127870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.127870 (E_RNA)
where:
Base-Base interactions energy: -221.980
where: short stacking energy: -86.219
Base-Backbone interact. energy: -0.667
local terms energy: -74.480894
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -281.798855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.798855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.798855 (E_RNA)
where:
Base-Base interactions energy: -212.656
where: short stacking energy: -86.664
Base-Backbone interact. energy: -0.497
local terms energy: -68.645599
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -14.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -251.566184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.566184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.566184 (E_RNA)
where:
Base-Base interactions energy: -181.215
where: short stacking energy: -76.621
Base-Backbone interact. energy: -0.180
local terms energy: -70.171592
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -13.206
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: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -254.256933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.256933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.256933 (E_RNA)
where:
Base-Base interactions energy: -172.762
where: short stacking energy: -88.232
Base-Backbone interact. energy: -0.446
local terms energy: -81.049576
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -20.234
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: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -215.571167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.571167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.571167 (E_RNA)
where:
Base-Base interactions energy: -142.376
where: short stacking energy: -67.907
Base-Backbone interact. energy: 0.976
local terms energy: -74.170352
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -7.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -230.607430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.607430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.607430 (E_RNA)
where:
Base-Base interactions energy: -159.595
where: short stacking energy: -62.932
Base-Backbone interact. energy: -0.072
local terms energy: -70.939902
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -11.397
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: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -228.572847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.572847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.572847 (E_RNA)
where:
Base-Base interactions energy: -151.346
where: short stacking energy: -66.049
Base-Backbone interact. energy: -0.179
local terms energy: -77.048153
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -12.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -167.319316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.319316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.319316 (E_RNA)
where:
Base-Base interactions energy: -110.552
where: short stacking energy: -63.524
Base-Backbone interact. energy: -0.103
local terms energy: -56.664272
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -321.638006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.638006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.638006 (E_RNA)
where:
Base-Base interactions energy: -227.927
where: short stacking energy: -110.639
Base-Backbone interact. energy: -0.000
local terms energy: -93.710509
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -25.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -309.145059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.145059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.145059 (E_RNA)
where:
Base-Base interactions energy: -218.335
where: short stacking energy: -89.858
Base-Backbone interact. energy: -0.081
local terms energy: -90.729466
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -23.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -303.851713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.851713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.851713 (E_RNA)
where:
Base-Base interactions energy: -220.887
where: short stacking energy: -94.059
Base-Backbone interact. energy: -0.086
local terms energy: -82.879076
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -22.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -273.191365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.191365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.191365 (E_RNA)
where:
Base-Base interactions energy: -203.880
where: short stacking energy: -76.994
Base-Backbone interact. energy: 2.437
local terms energy: -71.748388
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -10.834
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: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -257.890940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.890940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.890940 (E_RNA)
where:
Base-Base interactions energy: -176.372
where: short stacking energy: -81.429
Base-Backbone interact. energy: -0.108
local terms energy: -81.410359
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -247.888412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.888412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.888412 (E_RNA)
where:
Base-Base interactions energy: -170.196
where: short stacking energy: -76.091
Base-Backbone interact. energy: -0.177
local terms energy: -77.515652
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -18.664
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: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -225.952670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.952670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.952670 (E_RNA)
where:
Base-Base interactions energy: -156.347
where: short stacking energy: -56.416
Base-Backbone interact. energy: -0.928
local terms energy: -68.677148
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -216.899973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.899973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.899973 (E_RNA)
where:
Base-Base interactions energy: -160.209
where: short stacking energy: -72.161
Base-Backbone interact. energy: 1.183
local terms energy: -57.873461
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -13.321
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: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -178.231972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.231972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.231972 (E_RNA)
where:
Base-Base interactions energy: -117.615
where: short stacking energy: -52.100
Base-Backbone interact. energy: -0.377
local terms energy: -60.239686
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -6.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -203.171251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.171251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.171251 (E_RNA)
where:
Base-Base interactions energy: -148.941
where: short stacking energy: -56.398
Base-Backbone interact. energy: -0.322
local terms energy: -53.908239
where:
bonds (distance) C4'-P energy: -7.185
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -11.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -313.021237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.021237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.021237 (E_RNA)
where:
Base-Base interactions energy: -227.235
where: short stacking energy: -90.256
Base-Backbone interact. energy: 1.305
local terms energy: -87.090990
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -23.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -304.577275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.577275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.577275 (E_RNA)
where:
Base-Base interactions energy: -218.782
where: short stacking energy: -95.923
Base-Backbone interact. energy: -0.119
local terms energy: -85.676543
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -22.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -304.266361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.266361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.266361 (E_RNA)
where:
Base-Base interactions energy: -216.631
where: short stacking energy: -94.716
Base-Backbone interact. energy: -0.347
local terms energy: -87.289281
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -24.151
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: 181
Temperature: 1.050000
Total energy: -277.990189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.990189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.990189 (E_RNA)
where:
Base-Base interactions energy: -196.065
where: short stacking energy: -91.778
Base-Backbone interact. energy: -0.079
local terms energy: -81.845512
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -268.875156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.875156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.875156 (E_RNA)
where:
Base-Base interactions energy: -199.942
where: short stacking energy: -85.731
Base-Backbone interact. energy: -0.542
local terms energy: -68.391463
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -12.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -226.492153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.492153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.492153 (E_RNA)
where:
Base-Base interactions energy: -167.227
where: short stacking energy: -64.202
Base-Backbone interact. energy: -0.239
local terms energy: -59.026222
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -13.995
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: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -238.377536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.377536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.377536 (E_RNA)
where:
Base-Base interactions energy: -173.457
where: short stacking energy: -71.800
Base-Backbone interact. energy: -0.239
local terms energy: -64.681971
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -224.892875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.892875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.892875 (E_RNA)
where:
Base-Base interactions energy: -160.622
where: short stacking energy: -60.651
Base-Backbone interact. energy: 1.581
local terms energy: -65.852152
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -12.350
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: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -163.017134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.017134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.017134 (E_RNA)
where:
Base-Base interactions energy: -105.609
where: short stacking energy: -59.694
Base-Backbone interact. energy: 0.497
local terms energy: -57.905298
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -10.022
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -163.667563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.667563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.667563 (E_RNA)
where:
Base-Base interactions energy: -104.876
where: short stacking energy: -53.957
Base-Backbone interact. energy: -0.289
local terms energy: -58.502547
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -1.163
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: 1, replica: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -316.235357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.235357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.235357 (E_RNA)
where:
Base-Base interactions energy: -230.810
where: short stacking energy: -100.638
Base-Backbone interact. energy: -0.512
local terms energy: -84.913419
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -317.215732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.215732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.215732 (E_RNA)
where:
Base-Base interactions energy: -224.975
where: short stacking energy: -106.198
Base-Backbone interact. energy: -0.280
local terms energy: -91.961068
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -26.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -309.539964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.539964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.539964 (E_RNA)
where:
Base-Base interactions energy: -221.187
where: short stacking energy: -100.210
Base-Backbone interact. energy: -0.007
local terms energy: -88.346027
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -263.550331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.550331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.550331 (E_RNA)
where:
Base-Base interactions energy: -180.376
where: short stacking energy: -97.525
Base-Backbone interact. energy: -0.538
local terms energy: -82.636626
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -260.478890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.478890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.478890 (E_RNA)
where:
Base-Base interactions energy: -198.692
where: short stacking energy: -84.994
Base-Backbone interact. energy: -0.468
local terms energy: -61.318744
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -245.834076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.834076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.834076 (E_RNA)
where:
Base-Base interactions energy: -181.726
where: short stacking energy: -77.823
Base-Backbone interact. energy: 0.153
local terms energy: -64.260757
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -236.293935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.293935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.293935 (E_RNA)
where:
Base-Base interactions energy: -165.890
where: short stacking energy: -62.395
Base-Backbone interact. energy: -0.930
local terms energy: -69.473141
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -9.802
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: 8, replica: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -226.403610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.403610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.403610 (E_RNA)
where:
Base-Base interactions energy: -157.609
where: short stacking energy: -66.374
Base-Backbone interact. energy: -0.501
local terms energy: -68.294320
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -217.487682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.487682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.487682 (E_RNA)
where:
Base-Base interactions energy: -146.346
where: short stacking energy: -60.834
Base-Backbone interact. energy: -0.039
local terms energy: -71.103128
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -13.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -115.233968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.233968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.233968 (E_RNA)
where:
Base-Base interactions energy: -54.568
where: short stacking energy: -27.324
Base-Backbone interact. energy: -0.383
local terms energy: -60.283371
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -3.363
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: 183
Temperature: 0.900000
Total energy: -306.236284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.236284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.236284 (E_RNA)
where:
Base-Base interactions energy: -222.169
where: short stacking energy: -100.513
Base-Backbone interact. energy: -0.379
local terms energy: -83.688217
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -25.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -312.694675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.694675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.694675 (E_RNA)
where:
Base-Base interactions energy: -225.843
where: short stacking energy: -102.194
Base-Backbone interact. energy: 0.260
local terms energy: -87.111390
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -23.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -306.605500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.605500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.605500 (E_RNA)
where:
Base-Base interactions energy: -228.377
where: short stacking energy: -103.074
Base-Backbone interact. energy: -0.536
local terms energy: -77.693240
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -26.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -268.215087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.215087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.215087 (E_RNA)
where:
Base-Base interactions energy: -191.679
where: short stacking energy: -76.635
Base-Backbone interact. energy: 2.785
local terms energy: -79.320451
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -263.927905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.927905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.927905 (E_RNA)
where:
Base-Base interactions energy: -183.160
where: short stacking energy: -96.710
Base-Backbone interact. energy: -1.595
local terms energy: -79.173212
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -24.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -235.146928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.146928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.146928 (E_RNA)
where:
Base-Base interactions energy: -168.545
where: short stacking energy: -72.895
Base-Backbone interact. energy: 0.252
local terms energy: -66.853792
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -241.523441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.523441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.523441 (E_RNA)
where:
Base-Base interactions energy: -176.066
where: short stacking energy: -71.830
Base-Backbone interact. energy: -0.151
local terms energy: -65.306370
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -16.274
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: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -237.865587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.865587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.865587 (E_RNA)
where:
Base-Base interactions energy: -167.968
where: short stacking energy: -70.847
Base-Backbone interact. energy: -0.129
local terms energy: -69.768066
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -215.403555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.403555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.403555 (E_RNA)
where:
Base-Base interactions energy: -152.178
where: short stacking energy: -68.062
Base-Backbone interact. energy: -0.787
local terms energy: -62.438465
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -10.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -118.616937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.616937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.616937 (E_RNA)
where:
Base-Base interactions energy: -63.738
where: short stacking energy: -43.541
Base-Backbone interact. energy: 1.539
local terms energy: -56.417958
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -313.785091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.785091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.785091 (E_RNA)
where:
Base-Base interactions energy: -224.515
where: short stacking energy: -103.499
Base-Backbone interact. energy: -0.398
local terms energy: -88.872183
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -26.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -311.496065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.496065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.496065 (E_RNA)
where:
Base-Base interactions energy: -225.650
where: short stacking energy: -99.798
Base-Backbone interact. energy: -0.291
local terms energy: -85.554511
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -302.972591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.972591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.972591 (E_RNA)
where:
Base-Base interactions energy: -213.291
where: short stacking energy: -96.656
Base-Backbone interact. energy: -0.042
local terms energy: -89.640033
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -26.657
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: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -269.354259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.354259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.354259 (E_RNA)
where:
Base-Base interactions energy: -200.131
where: short stacking energy: -83.737
Base-Backbone interact. energy: -1.036
local terms energy: -68.186945
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -269.034499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.034499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.034499 (E_RNA)
where:
Base-Base interactions energy: -186.158
where: short stacking energy: -94.866
Base-Backbone interact. energy: -1.217
local terms energy: -81.659863
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -23.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -227.338740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.338740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.338740 (E_RNA)
where:
Base-Base interactions energy: -165.385
where: short stacking energy: -71.710
Base-Backbone interact. energy: 1.400
local terms energy: -63.353157
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -3.551
tors. eta vs tors. theta energy: -14.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -240.149492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.149492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.149492 (E_RNA)
where:
Base-Base interactions energy: -175.909
where: short stacking energy: -78.603
Base-Backbone interact. energy: 1.081
local terms energy: -65.321179
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -240.839429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.839429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.839429 (E_RNA)
where:
Base-Base interactions energy: -179.750
where: short stacking energy: -62.074
Base-Backbone interact. energy: -0.546
local terms energy: -60.542831
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -4.002
tors. eta vs tors. theta energy: -12.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -220.017846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.017846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.017846 (E_RNA)
where:
Base-Base interactions energy: -156.735
where: short stacking energy: -74.285
Base-Backbone interact. energy: 2.823
local terms energy: -66.105798
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -12.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -107.649738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.649738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.649738 (E_RNA)
where:
Base-Base interactions energy: -57.511
where: short stacking energy: -39.246
Base-Backbone interact. energy: -0.201
local terms energy: -49.938079
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -316.121306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.121306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.121306 (E_RNA)
where:
Base-Base interactions energy: -221.792
where: short stacking energy: -102.474
Base-Backbone interact. energy: -0.131
local terms energy: -94.197655
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -25.553
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: 185
Temperature: 0.950000
Total energy: -318.461779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.461779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.461779 (E_RNA)
where:
Base-Base interactions energy: -227.718
where: short stacking energy: -102.835
Base-Backbone interact. energy: -0.286
local terms energy: -90.457655
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -24.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -313.290832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.290832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.290832 (E_RNA)
where:
Base-Base interactions energy: -223.724
where: short stacking energy: -107.064
Base-Backbone interact. energy: -0.003
local terms energy: -89.562994
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -27.081
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: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -267.456396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.456396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.456396 (E_RNA)
where:
Base-Base interactions energy: -179.097
where: short stacking energy: -93.335
Base-Backbone interact. energy: -1.348
local terms energy: -87.011636
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -14.418
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: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -269.186481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.186481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.186481 (E_RNA)
where:
Base-Base interactions energy: -201.233
where: short stacking energy: -86.759
Base-Backbone interact. energy: -0.245
local terms energy: -67.708435
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -10.520
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: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -237.223346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.223346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.223346 (E_RNA)
where:
Base-Base interactions energy: -169.837
where: short stacking energy: -73.627
Base-Backbone interact. energy: -0.246
local terms energy: -67.139502
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -11.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -231.743022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.743022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.743022 (E_RNA)
where:
Base-Base interactions energy: -159.363
where: short stacking energy: -68.648
Base-Backbone interact. energy: 0.460
local terms energy: -72.840437
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -237.040590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.040590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.040590 (E_RNA)
where:
Base-Base interactions energy: -174.990
where: short stacking energy: -64.636
Base-Backbone interact. energy: -0.427
local terms energy: -61.623353
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -221.073825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.073825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.073825 (E_RNA)
where:
Base-Base interactions energy: -158.495
where: short stacking energy: -74.948
Base-Backbone interact. energy: 0.478
local terms energy: -63.056542
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -13.586
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: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -102.448504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.448504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.448504 (E_RNA)
where:
Base-Base interactions energy: -48.513
where: short stacking energy: -42.788
Base-Backbone interact. energy: -0.018
local terms energy: -53.918029
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -318.809398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.809398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.809398 (E_RNA)
where:
Base-Base interactions energy: -238.930
where: short stacking energy: -101.777
Base-Backbone interact. energy: 0.409
local terms energy: -80.288485
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -24.197
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: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -306.401169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.401169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.401169 (E_RNA)
where:
Base-Base interactions energy: -219.948
where: short stacking energy: -101.696
Base-Backbone interact. energy: -0.004
local terms energy: -86.449028
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -305.801453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.801453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.801453 (E_RNA)
where:
Base-Base interactions energy: -215.467
where: short stacking energy: -98.407
Base-Backbone interact. energy: -0.009
local terms energy: -90.325219
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -25.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -268.719310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.719310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.719310 (E_RNA)
where:
Base-Base interactions energy: -186.278
where: short stacking energy: -99.634
Base-Backbone interact. energy: -0.045
local terms energy: -82.396709
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -23.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -261.688567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.688567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.688567 (E_RNA)
where:
Base-Base interactions energy: -193.502
where: short stacking energy: -83.432
Base-Backbone interact. energy: -0.204
local terms energy: -67.982589
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -242.507718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.507718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.507718 (E_RNA)
where:
Base-Base interactions energy: -160.336
where: short stacking energy: -70.934
Base-Backbone interact. energy: -0.087
local terms energy: -82.085360
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -240.182437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.182437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.182437 (E_RNA)
where:
Base-Base interactions energy: -170.280
where: short stacking energy: -73.367
Base-Backbone interact. energy: -0.618
local terms energy: -69.284156
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -14.900
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: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -229.033524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.033524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.033524 (E_RNA)
where:
Base-Base interactions energy: -157.698
where: short stacking energy: -73.434
Base-Backbone interact. energy: -0.030
local terms energy: -71.305675
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -11.071
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: 186
Temperature: 1.300000
Total energy: -213.169313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.169313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.169313 (E_RNA)
where:
Base-Base interactions energy: -135.932
where: short stacking energy: -55.923
Base-Backbone interact. energy: -0.440
local terms energy: -76.796410
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -12.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -109.216923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.216923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.216923 (E_RNA)
where:
Base-Base interactions energy: -51.643
where: short stacking energy: -42.186
Base-Backbone interact. energy: 0.636
local terms energy: -58.210321
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -7.310
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: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -323.872891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.872891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.872891 (E_RNA)
where:
Base-Base interactions energy: -234.253
where: short stacking energy: -101.174
Base-Backbone interact. energy: -0.055
local terms energy: -89.564744
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -27.175
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: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -323.308319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.308319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.308319 (E_RNA)
where:
Base-Base interactions energy: -234.555
where: short stacking energy: -108.117
Base-Backbone interact. energy: -0.013
local terms energy: -88.740248
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -24.680
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: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -305.363955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.363955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.363955 (E_RNA)
where:
Base-Base interactions energy: -217.237
where: short stacking energy: -95.845
Base-Backbone interact. energy: -0.004
local terms energy: -88.123854
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -22.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -279.334111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.334111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.334111 (E_RNA)
where:
Base-Base interactions energy: -209.296
where: short stacking energy: -81.103
Base-Backbone interact. energy: 0.068
local terms energy: -70.106554
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -12.421
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: 187
Temperature: 1.100000
Total energy: -257.072569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.072569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.072569 (E_RNA)
where:
Base-Base interactions energy: -168.542
where: short stacking energy: -89.937
Base-Backbone interact. energy: -0.351
local terms energy: -88.179542
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -241.535027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.535027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.535027 (E_RNA)
where:
Base-Base interactions energy: -164.700
where: short stacking energy: -70.138
Base-Backbone interact. energy: -1.838
local terms energy: -74.996886
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -242.521645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.521645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.521645 (E_RNA)
where:
Base-Base interactions energy: -178.418
where: short stacking energy: -72.596
Base-Backbone interact. energy: -0.015
local terms energy: -64.088549
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -5.815
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: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -217.721366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.721366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.721366 (E_RNA)
where:
Base-Base interactions energy: -149.736
where: short stacking energy: -68.202
Base-Backbone interact. energy: 0.323
local terms energy: -68.308852
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -216.407965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.407965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.407965 (E_RNA)
where:
Base-Base interactions energy: -149.613
where: short stacking energy: -65.169
Base-Backbone interact. energy: -0.027
local terms energy: -66.767332
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -93.534523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.534523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.534523 (E_RNA)
where:
Base-Base interactions energy: -34.214
where: short stacking energy: -28.110
Base-Backbone interact. energy: -0.285
local terms energy: -59.035582
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -324.461492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.461492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.461492 (E_RNA)
where:
Base-Base interactions energy: -236.884
where: short stacking energy: -99.866
Base-Backbone interact. energy: -0.049
local terms energy: -87.527936
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -26.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -321.928317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.928317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.928317 (E_RNA)
where:
Base-Base interactions energy: -233.698
where: short stacking energy: -104.287
Base-Backbone interact. energy: -0.356
local terms energy: -87.873925
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -25.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -299.068380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.068380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.068380 (E_RNA)
where:
Base-Base interactions energy: -211.089
where: short stacking energy: -95.479
Base-Backbone interact. energy: -0.070
local terms energy: -87.908871
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -270.401871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.401871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.401871 (E_RNA)
where:
Base-Base interactions energy: -199.008
where: short stacking energy: -82.684
Base-Backbone interact. energy: -0.409
local terms energy: -70.984898
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -12.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -252.097568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.097568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.097568 (E_RNA)
where:
Base-Base interactions energy: -186.745
where: short stacking energy: -77.736
Base-Backbone interact. energy: -0.654
local terms energy: -64.699017
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -14.708
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: 188
Temperature: 1.150000
Total energy: -252.220264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.220264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.220264 (E_RNA)
where:
Base-Base interactions energy: -178.911
where: short stacking energy: -92.730
Base-Backbone interact. energy: 0.317
local terms energy: -73.626674
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -4.585
tors. eta vs tors. theta energy: -25.100
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: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -224.454831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.454831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.454831 (E_RNA)
where:
Base-Base interactions energy: -154.542
where: short stacking energy: -66.530
Base-Backbone interact. energy: 0.575
local terms energy: -70.487416
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -232.403460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.403460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.403460 (E_RNA)
where:
Base-Base interactions energy: -167.733
where: short stacking energy: -73.192
Base-Backbone interact. energy: -0.134
local terms energy: -64.535922
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -14.670
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: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -216.715816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.715816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.715816 (E_RNA)
where:
Base-Base interactions energy: -154.618
where: short stacking energy: -65.863
Base-Backbone interact. energy: 1.832
local terms energy: -63.929401
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -9.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -115.147019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.147019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.147019 (E_RNA)
where:
Base-Base interactions energy: -63.765
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.089
local terms energy: -51.293275
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -309.118180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.118180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.118180 (E_RNA)
where:
Base-Base interactions energy: -220.563
where: short stacking energy: -96.460
Base-Backbone interact. energy: -0.659
local terms energy: -87.895918
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -24.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -311.060410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.060410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.060410 (E_RNA)
where:
Base-Base interactions energy: -222.060
where: short stacking energy: -100.259
Base-Backbone interact. energy: -0.094
local terms energy: -88.906635
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -25.097
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: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -315.784046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.784046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.784046 (E_RNA)
where:
Base-Base interactions energy: -219.909
where: short stacking energy: -105.529
Base-Backbone interact. energy: -0.042
local terms energy: -95.833619
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -26.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -267.617191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.617191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.617191 (E_RNA)
where:
Base-Base interactions energy: -199.792
where: short stacking energy: -70.792
Base-Backbone interact. energy: -0.387
local terms energy: -67.437601
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -243.381725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.381725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.381725 (E_RNA)
where:
Base-Base interactions energy: -168.133
where: short stacking energy: -65.834
Base-Backbone interact. energy: -0.261
local terms energy: -74.987236
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -12.939
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: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -246.724882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.724882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.724882 (E_RNA)
where:
Base-Base interactions energy: -163.319
where: short stacking energy: -87.935
Base-Backbone interact. energy: -0.478
local terms energy: -82.927920
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -217.261218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.261218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.261218 (E_RNA)
where:
Base-Base interactions energy: -151.007
where: short stacking energy: -64.545
Base-Backbone interact. energy: -0.304
local terms energy: -65.950038
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -11.434
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: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -220.518271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.518271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.518271 (E_RNA)
where:
Base-Base interactions energy: -152.410
where: short stacking energy: -62.879
Base-Backbone interact. energy: -0.027
local terms energy: -68.081428
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -245.835818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.835818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.835818 (E_RNA)
where:
Base-Base interactions energy: -171.453
where: short stacking energy: -75.031
Base-Backbone interact. energy: -0.093
local terms energy: -74.289916
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -96.623970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.623970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.623970 (E_RNA)
where:
Base-Base interactions energy: -52.313
where: short stacking energy: -45.395
Base-Backbone interact. energy: -0.076
local terms energy: -44.234510
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -328.506254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.506254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.506254 (E_RNA)
where:
Base-Base interactions energy: -238.925
where: short stacking energy: -111.273
Base-Backbone interact. energy: -0.127
local terms energy: -89.453752
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -25.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -309.639039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.639039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.639039 (E_RNA)
where:
Base-Base interactions energy: -221.028
where: short stacking energy: -100.931
Base-Backbone interact. energy: -0.286
local terms energy: -88.325166
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -25.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -300.466503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.466503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.466503 (E_RNA)
where:
Base-Base interactions energy: -215.232
where: short stacking energy: -89.975
Base-Backbone interact. energy: -0.025
local terms energy: -85.210025
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -277.766721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.766721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.766721 (E_RNA)
where:
Base-Base interactions energy: -200.223
where: short stacking energy: -90.683
Base-Backbone interact. energy: -0.315
local terms energy: -77.228965
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -248.399262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.399262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.399262 (E_RNA)
where:
Base-Base interactions energy: -166.326
where: short stacking energy: -90.592
Base-Backbone interact. energy: -0.002
local terms energy: -82.070899
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -23.219
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: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -249.060443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.060443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.060443 (E_RNA)
where:
Base-Base interactions energy: -176.302
where: short stacking energy: -78.206
Base-Backbone interact. energy: 0.597
local terms energy: -73.355735
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -15.552
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: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -236.281758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.281758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.281758 (E_RNA)
where:
Base-Base interactions energy: -169.074
where: short stacking energy: -64.930
Base-Backbone interact. energy: -0.279
local terms energy: -66.928712
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -223.910508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.910508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.910508 (E_RNA)
where:
Base-Base interactions energy: -160.154
where: short stacking energy: -77.402
Base-Backbone interact. energy: 2.957
local terms energy: -66.713240
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -13.889
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: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -232.597104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.597104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.597104 (E_RNA)
where:
Base-Base interactions energy: -163.912
where: short stacking energy: -70.302
Base-Backbone interact. energy: -0.141
local terms energy: -68.544339
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -6.435
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: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -100.518489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.518489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.518489 (E_RNA)
where:
Base-Base interactions energy: -53.508
where: short stacking energy: -43.493
Base-Backbone interact. energy: 0.421
local terms energy: -47.432071
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -4.720
tors. eta vs tors. theta energy: 1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -328.042460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.042460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.042460 (E_RNA)
where:
Base-Base interactions energy: -240.108
where: short stacking energy: -111.813
Base-Backbone interact. energy: -0.245
local terms energy: -87.689810
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -305.222272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.222272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.222272 (E_RNA)
where:
Base-Base interactions energy: -224.438
where: short stacking energy: -96.356
Base-Backbone interact. energy: -0.083
local terms energy: -80.701516
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -21.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -307.658664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.658664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.658664 (E_RNA)
where:
Base-Base interactions energy: -215.447
where: short stacking energy: -90.020
Base-Backbone interact. energy: -0.099
local terms energy: -92.112045
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -24.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -282.898543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.898543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.898543 (E_RNA)
where:
Base-Base interactions energy: -205.048
where: short stacking energy: -79.952
Base-Backbone interact. energy: 2.589
local terms energy: -80.439321
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -15.311
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: 5, replica: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -260.766599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.766599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.766599 (E_RNA)
where:
Base-Base interactions energy: -172.590
where: short stacking energy: -91.715
Base-Backbone interact. energy: 0.001
local terms energy: -88.177374
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -25.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -244.892556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.892556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.892556 (E_RNA)
where:
Base-Base interactions energy: -169.309
where: short stacking energy: -72.116
Base-Backbone interact. energy: 0.157
local terms energy: -75.741407
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -15.353
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: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -247.666723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.666723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.666723 (E_RNA)
where:
Base-Base interactions energy: -176.436
where: short stacking energy: -75.189
Base-Backbone interact. energy: -1.046
local terms energy: -70.184530
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -11.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -237.086782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.086782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.086782 (E_RNA)
where:
Base-Base interactions energy: -170.735
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.211
local terms energy: -66.140071
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -13.822
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: 191
Temperature: 1.300000
Total energy: -211.925076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.925076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.925076 (E_RNA)
where:
Base-Base interactions energy: -149.187
where: short stacking energy: -70.286
Base-Backbone interact. energy: -0.129
local terms energy: -62.609278
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -92.182692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.182692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.182692 (E_RNA)
where:
Base-Base interactions energy: -35.932
where: short stacking energy: -30.536
Base-Backbone interact. energy: -0.194
local terms energy: -56.057114
where:
bonds (distance) C4'-P energy: -7.463
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -312.129602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.129602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.129602 (E_RNA)
where:
Base-Base interactions energy: -226.216
where: short stacking energy: -108.667
Base-Backbone interact. energy: -0.004
local terms energy: -85.909144
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -27.354
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: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -319.785608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.785608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.785608 (E_RNA)
where:
Base-Base interactions energy: -235.341
where: short stacking energy: -104.496
Base-Backbone interact. energy: -0.152
local terms energy: -84.292247
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -305.741435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.741435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.741435 (E_RNA)
where:
Base-Base interactions energy: -220.519
where: short stacking energy: -103.820
Base-Backbone interact. energy: -0.292
local terms energy: -84.929685
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -25.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -268.087720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.087720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.087720 (E_RNA)
where:
Base-Base interactions energy: -200.098
where: short stacking energy: -86.850
Base-Backbone interact. energy: 0.941
local terms energy: -68.930865
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -254.394415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.394415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.394415 (E_RNA)
where:
Base-Base interactions energy: -173.130
where: short stacking energy: -86.564
Base-Backbone interact. energy: -0.711
local terms energy: -80.553366
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -14.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -264.260712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.260712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.260712 (E_RNA)
where:
Base-Base interactions energy: -180.857
where: short stacking energy: -94.105
Base-Backbone interact. energy: -0.200
local terms energy: -83.203951
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -240.522164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.522164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.522164 (E_RNA)
where:
Base-Base interactions energy: -169.843
where: short stacking energy: -71.071
Base-Backbone interact. energy: -0.202
local terms energy: -70.477350
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -8.496
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -240.564834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.564834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.564834 (E_RNA)
where:
Base-Base interactions energy: -169.126
where: short stacking energy: -82.208
Base-Backbone interact. energy: 3.551
local terms energy: -74.989211
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -19.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -228.565602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.565602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.565602 (E_RNA)
where:
Base-Base interactions energy: -168.028
where: short stacking energy: -63.397
Base-Backbone interact. energy: -0.024
local terms energy: -60.514096
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -111.999427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.999427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.999427 (E_RNA)
where:
Base-Base interactions energy: -63.396
where: short stacking energy: -44.613
Base-Backbone interact. energy: -0.330
local terms energy: -48.273308
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -8.038
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -316.614117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.614117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.614117 (E_RNA)
where:
Base-Base interactions energy: -224.135
where: short stacking energy: -107.529
Base-Backbone interact. energy: -0.001
local terms energy: -92.477289
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -23.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -313.258335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.258335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.258335 (E_RNA)
where:
Base-Base interactions energy: -220.958
where: short stacking energy: -97.671
Base-Backbone interact. energy: -0.079
local terms energy: -92.221274
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -309.920825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.920825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.920825 (E_RNA)
where:
Base-Base interactions energy: -228.479
where: short stacking energy: -108.090
Base-Backbone interact. energy: 0.152
local terms energy: -81.594200
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -26.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -264.217526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.217526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.217526 (E_RNA)
where:
Base-Base interactions energy: -189.299
where: short stacking energy: -87.411
Base-Backbone interact. energy: 0.737
local terms energy: -75.655525
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -262.590705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.590705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.590705 (E_RNA)
where:
Base-Base interactions energy: -195.336
where: short stacking energy: -78.649
Base-Backbone interact. energy: -0.347
local terms energy: -66.907752
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -243.943964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.943964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.943964 (E_RNA)
where:
Base-Base interactions energy: -173.927
where: short stacking energy: -79.555
Base-Backbone interact. energy: -0.255
local terms energy: -69.761400
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -11.439
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: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -240.741536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.741536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.741536 (E_RNA)
where:
Base-Base interactions energy: -168.672
where: short stacking energy: -89.682
Base-Backbone interact. energy: -1.216
local terms energy: -70.853614
where:
bonds (distance) C4'-P energy: -7.606
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -235.562412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.562412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.562412 (E_RNA)
where:
Base-Base interactions energy: -161.980
where: short stacking energy: -64.855
Base-Backbone interact. energy: -1.248
local terms energy: -72.334385
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -12.635
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: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -223.199171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.199171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.199171 (E_RNA)
where:
Base-Base interactions energy: -157.292
where: short stacking energy: -77.922
Base-Backbone interact. energy: -0.140
local terms energy: -65.767010
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -130.140468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.140468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.140468 (E_RNA)
where:
Base-Base interactions energy: -81.329
where: short stacking energy: -41.373
Base-Backbone interact. energy: -0.514
local terms energy: -48.297795
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -7.954
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -318.449218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.449218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.449218 (E_RNA)
where:
Base-Base interactions energy: -229.678
where: short stacking energy: -99.900
Base-Backbone interact. energy: -0.042
local terms energy: -88.729697
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -25.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -314.124545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.124545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.124545 (E_RNA)
where:
Base-Base interactions energy: -226.953
where: short stacking energy: -104.602
Base-Backbone interact. energy: -0.000
local terms energy: -87.170864
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -25.507
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: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -308.387151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.387151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.387151 (E_RNA)
where:
Base-Base interactions energy: -224.963
where: short stacking energy: -98.152
Base-Backbone interact. energy: 0.635
local terms energy: -84.059813
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -22.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -259.035774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.035774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.035774 (E_RNA)
where:
Base-Base interactions energy: -175.844
where: short stacking energy: -82.672
Base-Backbone interact. energy: -0.004
local terms energy: -83.188460
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -19.932
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: 5, replica: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -263.176319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.176319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.176319 (E_RNA)
where:
Base-Base interactions energy: -199.218
where: short stacking energy: -75.689
Base-Backbone interact. energy: 0.744
local terms energy: -64.702548
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -236.991878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.991878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.991878 (E_RNA)
where:
Base-Base interactions energy: -165.539
where: short stacking energy: -78.370
Base-Backbone interact. energy: -0.034
local terms energy: -71.418072
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -245.628517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.628517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.628517 (E_RNA)
where:
Base-Base interactions energy: -165.240
where: short stacking energy: -87.097
Base-Backbone interact. energy: 0.139
local terms energy: -80.527113
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -19.957
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: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -243.155797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.155797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.155797 (E_RNA)
where:
Base-Base interactions energy: -170.304
where: short stacking energy: -73.155
Base-Backbone interact. energy: -0.259
local terms energy: -72.593111
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -212.029952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.029952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.029952 (E_RNA)
where:
Base-Base interactions energy: -142.074
where: short stacking energy: -65.894
Base-Backbone interact. energy: 0.242
local terms energy: -70.198634
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -13.079
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: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -104.363166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.363166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.363166 (E_RNA)
where:
Base-Base interactions energy: -55.350
where: short stacking energy: -43.656
Base-Backbone interact. energy: 2.220
local terms energy: -51.233733
where:
bonds (distance) C4'-P energy: -6.795
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -317.368337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.368337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.368337 (E_RNA)
where:
Base-Base interactions energy: -224.863
where: short stacking energy: -102.748
Base-Backbone interact. energy: -0.158
local terms energy: -92.347416
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -25.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -310.349298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.349298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.349298 (E_RNA)
where:
Base-Base interactions energy: -225.030
where: short stacking energy: -93.313
Base-Backbone interact. energy: -0.084
local terms energy: -85.234720
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -317.485699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.485699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.485699 (E_RNA)
where:
Base-Base interactions energy: -231.293
where: short stacking energy: -99.813
Base-Backbone interact. energy: -0.033
local terms energy: -86.159729
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -25.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -266.858514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.858514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.858514 (E_RNA)
where:
Base-Base interactions energy: -195.763
where: short stacking energy: -83.453
Base-Backbone interact. energy: -0.471
local terms energy: -70.624398
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -257.565297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.565297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.565297 (E_RNA)
where:
Base-Base interactions energy: -184.669
where: short stacking energy: -76.370
Base-Backbone interact. energy: -0.550
local terms energy: -72.346401
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -14.120
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: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -244.674003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.674003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.674003 (E_RNA)
where:
Base-Base interactions energy: -181.465
where: short stacking energy: -78.384
Base-Backbone interact. energy: -0.061
local terms energy: -63.148612
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -8.485
flat angles P-C4'-P energy: -3.526
tors. eta vs tors. theta energy: -17.586
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: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -228.268096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.268096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.268096 (E_RNA)
where:
Base-Base interactions energy: -149.210
where: short stacking energy: -74.966
Base-Backbone interact. energy: -0.080
local terms energy: -78.977589
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -20.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -200.957150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.957150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.957150 (E_RNA)
where:
Base-Base interactions energy: -131.895
where: short stacking energy: -64.802
Base-Backbone interact. energy: -0.069
local terms energy: -68.993564
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -12.390
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: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -228.374859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.374859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.374859 (E_RNA)
where:
Base-Base interactions energy: -164.466
where: short stacking energy: -65.798
Base-Backbone interact. energy: -0.218
local terms energy: -63.690809
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -163.632530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.632530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.632530 (E_RNA)
where:
Base-Base interactions energy: -115.164
where: short stacking energy: -54.063
Base-Backbone interact. energy: -0.828
local terms energy: -47.641321
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -316.213000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.213000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.213000 (E_RNA)
where:
Base-Base interactions energy: -231.943
where: short stacking energy: -96.191
Base-Backbone interact. energy: -0.002
local terms energy: -84.267861
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -23.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -311.025362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.025362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.025362 (E_RNA)
where:
Base-Base interactions energy: -217.260
where: short stacking energy: -103.778
Base-Backbone interact. energy: -0.001
local terms energy: -93.764157
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -26.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -312.858669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.858669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.858669 (E_RNA)
where:
Base-Base interactions energy: -223.783
where: short stacking energy: -101.979
Base-Backbone interact. energy: -0.000
local terms energy: -89.075695
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -25.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -270.786897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.786897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.786897 (E_RNA)
where:
Base-Base interactions energy: -194.387
where: short stacking energy: -76.327
Base-Backbone interact. energy: -0.599
local terms energy: -75.800562
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -13.582
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: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -249.246822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.246822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.246822 (E_RNA)
where:
Base-Base interactions energy: -178.383
where: short stacking energy: -70.851
Base-Backbone interact. energy: -0.266
local terms energy: -70.597163
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -18.098
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: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -247.883134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.883134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.883134 (E_RNA)
where:
Base-Base interactions energy: -178.361
where: short stacking energy: -69.044
Base-Backbone interact. energy: -0.096
local terms energy: -69.425268
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -219.498560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.498560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.498560 (E_RNA)
where:
Base-Base interactions energy: -156.370
where: short stacking energy: -69.346
Base-Backbone interact. energy: -0.214
local terms energy: -62.914712
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -9.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -220.029930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.029930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.029930 (E_RNA)
where:
Base-Base interactions energy: -156.663
where: short stacking energy: -78.599
Base-Backbone interact. energy: -0.069
local terms energy: -63.297493
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -234.490374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.490374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.490374 (E_RNA)
where:
Base-Base interactions energy: -173.374
where: short stacking energy: -71.815
Base-Backbone interact. energy: -0.411
local terms energy: -60.705842
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -3.550
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: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -200.402948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.402948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.402948 (E_RNA)
where:
Base-Base interactions energy: -134.286
where: short stacking energy: -68.310
Base-Backbone interact. energy: -1.445
local terms energy: -64.672221
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -314.438831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.438831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.438831 (E_RNA)
where:
Base-Base interactions energy: -228.541
where: short stacking energy: -95.300
Base-Backbone interact. energy: -0.282
local terms energy: -85.616127
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -26.340
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: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -311.614908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.614908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.614908 (E_RNA)
where:
Base-Base interactions energy: -218.723
where: short stacking energy: -100.279
Base-Backbone interact. energy: 0.230
local terms energy: -93.121232
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -24.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -304.473717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.473717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.473717 (E_RNA)
where:
Base-Base interactions energy: -219.198
where: short stacking energy: -102.089
Base-Backbone interact. energy: -0.001
local terms energy: -85.274077
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -23.627
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: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -272.328814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.328814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.328814 (E_RNA)
where:
Base-Base interactions energy: -200.212
where: short stacking energy: -71.845
Base-Backbone interact. energy: 0.134
local terms energy: -72.250124
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -261.841020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.841020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.841020 (E_RNA)
where:
Base-Base interactions energy: -195.252
where: short stacking energy: -75.875
Base-Backbone interact. energy: -0.376
local terms energy: -66.213123
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -252.171277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.171277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.171277 (E_RNA)
where:
Base-Base interactions energy: -168.867
where: short stacking energy: -81.572
Base-Backbone interact. energy: -0.584
local terms energy: -82.719899
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -20.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -214.094609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.094609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.094609 (E_RNA)
where:
Base-Base interactions energy: -151.957
where: short stacking energy: -65.474
Base-Backbone interact. energy: 0.686
local terms energy: -62.823683
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -232.905946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.905946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.905946 (E_RNA)
where:
Base-Base interactions energy: -156.768
where: short stacking energy: -71.291
Base-Backbone interact. energy: -1.350
local terms energy: -74.788417
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -244.090595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.090595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.090595 (E_RNA)
where:
Base-Base interactions energy: -174.850
where: short stacking energy: -89.654
Base-Backbone interact. energy: -1.342
local terms energy: -67.897964
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -203.612898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.612898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.612898 (E_RNA)
where:
Base-Base interactions energy: -137.404
where: short stacking energy: -73.060
Base-Backbone interact. energy: 1.704
local terms energy: -67.913715
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -319.459527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.459527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.459527 (E_RNA)
where:
Base-Base interactions energy: -223.232
where: short stacking energy: -94.857
Base-Backbone interact. energy: -0.001
local terms energy: -96.226898
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -24.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -316.726252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.726252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.726252 (E_RNA)
where:
Base-Base interactions energy: -228.236
where: short stacking energy: -98.233
Base-Backbone interact. energy: -0.161
local terms energy: -88.328414
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -22.690
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: 198
Temperature: 1.000000
Total energy: -300.398238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.398238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.398238 (E_RNA)
where:
Base-Base interactions energy: -209.268
where: short stacking energy: -91.911
Base-Backbone interact. energy: -0.343
local terms energy: -90.787002
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -23.220
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: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -266.156550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.156550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.156550 (E_RNA)
where:
Base-Base interactions energy: -195.630
where: short stacking energy: -83.020
Base-Backbone interact. energy: -1.216
local terms energy: -69.310695
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -1.347
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -269.752918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.752918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.752918 (E_RNA)
where:
Base-Base interactions energy: -202.077
where: short stacking energy: -81.030
Base-Backbone interact. energy: -1.359
local terms energy: -66.317266
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -11.934
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: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -258.151609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.151609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.151609 (E_RNA)
where:
Base-Base interactions energy: -182.518
where: short stacking energy: -83.234
Base-Backbone interact. energy: -0.722
local terms energy: -74.911149
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -16.249
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: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -245.962781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.962781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.962781 (E_RNA)
where:
Base-Base interactions energy: -169.156
where: short stacking energy: -71.844
Base-Backbone interact. energy: -0.092
local terms energy: -76.714444
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -9.437
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: 8, replica: 2
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -211.686675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.686675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.686675 (E_RNA)
where:
Base-Base interactions energy: -148.068
where: short stacking energy: -66.042
Base-Backbone interact. energy: -0.899
local terms energy: -62.719055
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -203.704418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.704418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.704418 (E_RNA)
where:
Base-Base interactions energy: -142.158
where: short stacking energy: -72.665
Base-Backbone interact. energy: 0.303
local terms energy: -61.848809
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -212.730704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.730704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.730704 (E_RNA)
where:
Base-Base interactions energy: -141.291
where: short stacking energy: -71.649
Base-Backbone interact. energy: -0.007
local terms energy: -71.432639
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -312.680636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.680636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.680636 (E_RNA)
where:
Base-Base interactions energy: -223.354
where: short stacking energy: -95.672
Base-Backbone interact. energy: -0.002
local terms energy: -89.324534
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -26.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -299.463429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.463429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.463429 (E_RNA)
where:
Base-Base interactions energy: -220.070
where: short stacking energy: -88.482
Base-Backbone interact. energy: -0.054
local terms energy: -79.339381
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -22.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -301.872022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.872022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.872022 (E_RNA)
where:
Base-Base interactions energy: -221.339
where: short stacking energy: -101.501
Base-Backbone interact. energy: -0.021
local terms energy: -80.511141
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -24.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -268.148750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.148750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.148750 (E_RNA)
where:
Base-Base interactions energy: -188.662
where: short stacking energy: -71.077
Base-Backbone interact. energy: -0.607
local terms energy: -78.879513
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -10.990
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: 5, replica: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -259.304590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.304590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.304590 (E_RNA)
where:
Base-Base interactions energy: -193.954
where: short stacking energy: -81.891
Base-Backbone interact. energy: -0.825
local terms energy: -64.525930
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -260.706148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.706148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.706148 (E_RNA)
where:
Base-Base interactions energy: -176.113
where: short stacking energy: -69.117
Base-Backbone interact. energy: -2.145
local terms energy: -82.447418
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -241.802342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.802342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.802342 (E_RNA)
where:
Base-Base interactions energy: -176.144
where: short stacking energy: -64.735
Base-Backbone interact. energy: -0.134
local terms energy: -65.523692
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -13.988
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: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -224.169191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.169191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.169191 (E_RNA)
where:
Base-Base interactions energy: -154.660
where: short stacking energy: -61.785
Base-Backbone interact. energy: -1.332
local terms energy: -68.176906
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -10.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -218.589386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.589386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.589386 (E_RNA)
where:
Base-Base interactions energy: -159.030
where: short stacking energy: -81.132
Base-Backbone interact. energy: -0.059
local terms energy: -59.499722
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -186.084926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.084926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.084926 (E_RNA)
where:
Base-Base interactions energy: -131.305
where: short stacking energy: -61.073
Base-Backbone interact. energy: -1.224
local terms energy: -53.556135
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -0.148
tors. eta vs tors. theta energy: -11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -309.941645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.941645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.941645 (E_RNA)
where:
Base-Base interactions energy: -214.680
where: short stacking energy: -96.060
Base-Backbone interact. energy: -0.001
local terms energy: -95.260031
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -25.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -305.775689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.775689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.775689 (E_RNA)
where:
Base-Base interactions energy: -217.238
where: short stacking energy: -102.254
Base-Backbone interact. energy: 0.303
local terms energy: -88.840715
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -25.072
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: 3, replica: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -312.651362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.651362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.651362 (E_RNA)
where:
Base-Base interactions energy: -229.893
where: short stacking energy: -87.536
Base-Backbone interact. energy: -1.052
local terms energy: -81.706858
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -24.422
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: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -274.007368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.007368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.007368 (E_RNA)
where:
Base-Base interactions energy: -205.555
where: short stacking energy: -81.381
Base-Backbone interact. energy: -0.363
local terms energy: -68.089542
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -245.825587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.825587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.825587 (E_RNA)
where:
Base-Base interactions energy: -174.829
where: short stacking energy: -63.060
Base-Backbone interact. energy: -1.329
local terms energy: -69.667409
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -252.605239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.605239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.605239 (E_RNA)
where:
Base-Base interactions energy: -185.619
where: short stacking energy: -82.282
Base-Backbone interact. energy: -0.328
local terms energy: -66.657822
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -8.127
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: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -249.970520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.970520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.970520 (E_RNA)
where:
Base-Base interactions energy: -174.136
where: short stacking energy: -83.520
Base-Backbone interact. energy: -0.463
local terms energy: -75.371872
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -205.340939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.340939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.340939 (E_RNA)
where:
Base-Base interactions energy: -132.738
where: short stacking energy: -73.766
Base-Backbone interact. energy: -0.072
local terms energy: -72.531637
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -17.664
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: 200
Temperature: 1.300000
Total energy: -214.007015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.007015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.007015 (E_RNA)
where:
Base-Base interactions energy: -152.826
where: short stacking energy: -74.038
Base-Backbone interact. energy: 0.390
local terms energy: -61.571114
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -177.308402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.308402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.308402 (E_RNA)
where:
Base-Base interactions energy: -118.065
where: short stacking energy: -64.058
Base-Backbone interact. energy: -0.582
local terms energy: -58.661891
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -308.118167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.118167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.118167 (E_RNA)
where:
Base-Base interactions energy: -218.812
where: short stacking energy: -98.659
Base-Backbone interact. energy: -0.173
local terms energy: -89.132730
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -310.146722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.146722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.146722 (E_RNA)
where:
Base-Base interactions energy: -224.532
where: short stacking energy: -102.691
Base-Backbone interact. energy: 0.626
local terms energy: -86.240588
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -24.452
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: 201
Temperature: 1.000000
Total energy: -302.390289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.390289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.390289 (E_RNA)
where:
Base-Base interactions energy: -217.392
where: short stacking energy: -100.311
Base-Backbone interact. energy: -0.002
local terms energy: -84.996943
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -23.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -280.427349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.427349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.427349 (E_RNA)
where:
Base-Base interactions energy: -207.411
where: short stacking energy: -80.330
Base-Backbone interact. energy: -0.076
local terms energy: -72.939842
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -13.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -251.727974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.727974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.727974 (E_RNA)
where:
Base-Base interactions energy: -179.491
where: short stacking energy: -72.012
Base-Backbone interact. energy: -0.348
local terms energy: -71.888963
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -237.917229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.917229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.917229 (E_RNA)
where:
Base-Base interactions energy: -166.162
where: short stacking energy: -79.486
Base-Backbone interact. energy: -0.310
local terms energy: -71.445244
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -16.552
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: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -234.099508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.099508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.099508 (E_RNA)
where:
Base-Base interactions energy: -163.070
where: short stacking energy: -73.361
Base-Backbone interact. energy: -0.213
local terms energy: -70.816694
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -220.597091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.597091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.597091 (E_RNA)
where:
Base-Base interactions energy: -143.417
where: short stacking energy: -63.685
Base-Backbone interact. energy: -0.104
local terms energy: -77.076470
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -15.527
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: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -216.630030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.630030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.630030 (E_RNA)
where:
Base-Base interactions energy: -143.810
where: short stacking energy: -65.831
Base-Backbone interact. energy: 0.592
local terms energy: -73.411740
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -13.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -168.584933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.584933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.584933 (E_RNA)
where:
Base-Base interactions energy: -110.922
where: short stacking energy: -53.212
Base-Backbone interact. energy: -0.099
local terms energy: -57.564125
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -11.466
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: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -332.420710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.420710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.420710 (E_RNA)
where:
Base-Base interactions energy: -242.229
where: short stacking energy: -98.638
Base-Backbone interact. energy: -0.068
local terms energy: -90.124334
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -26.039
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: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -316.190046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.190046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.190046 (E_RNA)
where:
Base-Base interactions energy: -222.937
where: short stacking energy: -98.584
Base-Backbone interact. energy: -0.001
local terms energy: -93.252368
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -24.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -300.905937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.905937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.905937 (E_RNA)
where:
Base-Base interactions energy: -211.758
where: short stacking energy: -100.574
Base-Backbone interact. energy: -0.001
local terms energy: -89.147775
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -25.144
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: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -286.019634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.019634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.019634 (E_RNA)
where:
Base-Base interactions energy: -215.705
where: short stacking energy: -86.089
Base-Backbone interact. energy: -0.670
local terms energy: -69.644686
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -17.007
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: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -246.389212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.389212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.389212 (E_RNA)
where:
Base-Base interactions energy: -170.964
where: short stacking energy: -78.195
Base-Backbone interact. energy: -0.333
local terms energy: -75.091417
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -6.579
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: 6, replica: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -246.774872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.774872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.774872 (E_RNA)
where:
Base-Base interactions energy: -175.961
where: short stacking energy: -70.456
Base-Backbone interact. energy: 0.414
local terms energy: -71.228702
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -13.887
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: 7, replica: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -235.449694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.449694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.449694 (E_RNA)
where:
Base-Base interactions energy: -157.987
where: short stacking energy: -67.600
Base-Backbone interact. energy: 0.154
local terms energy: -77.617380
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -206.902778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.902778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.902778 (E_RNA)
where:
Base-Base interactions energy: -143.217
where: short stacking energy: -67.537
Base-Backbone interact. energy: -0.297
local terms energy: -63.388069
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -196.425316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.425316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.425316 (E_RNA)
where:
Base-Base interactions energy: -134.942
where: short stacking energy: -60.030
Base-Backbone interact. energy: -0.214
local terms energy: -61.269526
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -190.117690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.117690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.117690 (E_RNA)
where:
Base-Base interactions energy: -126.894
where: short stacking energy: -68.131
Base-Backbone interact. energy: 0.067
local terms energy: -63.290563
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -326.814405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.814405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.814405 (E_RNA)
where:
Base-Base interactions energy: -238.284
where: short stacking energy: -104.315
Base-Backbone interact. energy: -0.100
local terms energy: -88.430177
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -26.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -318.764462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.764462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.764462 (E_RNA)
where:
Base-Base interactions energy: -234.473
where: short stacking energy: -97.649
Base-Backbone interact. energy: -0.279
local terms energy: -84.012462
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -23.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -313.237294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.237294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.237294 (E_RNA)
where:
Base-Base interactions energy: -227.382
where: short stacking energy: -105.538
Base-Backbone interact. energy: -0.002
local terms energy: -85.853235
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -23.836
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: 203
Temperature: 1.050000
Total energy: -288.200017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.200017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.200017 (E_RNA)
where:
Base-Base interactions energy: -215.359
where: short stacking energy: -92.778
Base-Backbone interact. energy: -0.863
local terms energy: -71.977293
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -251.932363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.932363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.932363 (E_RNA)
where:
Base-Base interactions energy: -179.368
where: short stacking energy: -83.535
Base-Backbone interact. energy: -0.110
local terms energy: -72.454562
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -256.555640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.555640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.555640 (E_RNA)
where:
Base-Base interactions energy: -179.463
where: short stacking energy: -69.282
Base-Backbone interact. energy: -2.334
local terms energy: -74.758347
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -244.199516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.199516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.199516 (E_RNA)
where:
Base-Base interactions energy: -168.452
where: short stacking energy: -69.292
Base-Backbone interact. energy: -0.361
local terms energy: -75.385900
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -204.250631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.250631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.250631 (E_RNA)
where:
Base-Base interactions energy: -130.980
where: short stacking energy: -70.917
Base-Backbone interact. energy: -0.321
local terms energy: -72.950035
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -178.894440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.894440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.894440 (E_RNA)
where:
Base-Base interactions energy: -124.977
where: short stacking energy: -57.150
Base-Backbone interact. energy: 0.624
local terms energy: -54.540686
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -199.619744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.619744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.619744 (E_RNA)
where:
Base-Base interactions energy: -136.183
where: short stacking energy: -57.676
Base-Backbone interact. energy: -1.048
local terms energy: -62.389265
where:
bonds (distance) C4'-P energy: -6.712
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -314.134592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.134592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.134592 (E_RNA)
where:
Base-Base interactions energy: -224.357
where: short stacking energy: -103.875
Base-Backbone interact. energy: -0.002
local terms energy: -89.775338
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -24.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -322.759454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.759454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.759454 (E_RNA)
where:
Base-Base interactions energy: -232.457
where: short stacking energy: -99.986
Base-Backbone interact. energy: -0.107
local terms energy: -90.195411
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -26.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -295.662056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.662056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.662056 (E_RNA)
where:
Base-Base interactions energy: -209.238
where: short stacking energy: -91.516
Base-Backbone interact. energy: 0.052
local terms energy: -86.476065
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -24.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -265.887055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.887055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.887055 (E_RNA)
where:
Base-Base interactions energy: -201.307
where: short stacking energy: -80.735
Base-Backbone interact. energy: -0.706
local terms energy: -63.873605
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -14.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -264.823248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.823248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.823248 (E_RNA)
where:
Base-Base interactions energy: -191.572
where: short stacking energy: -80.264
Base-Backbone interact. energy: -0.206
local terms energy: -73.045164
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -6.102
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: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -242.815275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.815275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.815275 (E_RNA)
where:
Base-Base interactions energy: -171.963
where: short stacking energy: -66.428
Base-Backbone interact. energy: -0.404
local terms energy: -70.447867
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -209.915755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.915755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.915755 (E_RNA)
where:
Base-Base interactions energy: -145.965
where: short stacking energy: -69.810
Base-Backbone interact. energy: -0.142
local terms energy: -63.808818
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -13.441
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: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -232.092598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.092598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.092598 (E_RNA)
where:
Base-Base interactions energy: -163.210
where: short stacking energy: -60.966
Base-Backbone interact. energy: -0.130
local terms energy: -68.752436
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -187.699678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.699678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.699678 (E_RNA)
where:
Base-Base interactions energy: -129.998
where: short stacking energy: -66.404
Base-Backbone interact. energy: -0.189
local terms energy: -57.513095
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -7.719
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: 2
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -197.768575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.768575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.768575 (E_RNA)
where:
Base-Base interactions energy: -143.203
where: short stacking energy: -60.074
Base-Backbone interact. energy: -0.434
local terms energy: -54.131918
where:
bonds (distance) C4'-P energy: -4.010
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -10.015
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: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -310.409417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.409417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.409417 (E_RNA)
where:
Base-Base interactions energy: -222.443
where: short stacking energy: -98.169
Base-Backbone interact. energy: 1.485
local terms energy: -89.450573
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -23.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -311.817705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.817705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.817705 (E_RNA)
where:
Base-Base interactions energy: -225.076
where: short stacking energy: -98.115
Base-Backbone interact. energy: -0.291
local terms energy: -86.451148
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -24.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -315.510330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.510330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.510330 (E_RNA)
where:
Base-Base interactions energy: -230.031
where: short stacking energy: -100.479
Base-Backbone interact. energy: -0.208
local terms energy: -85.271924
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -279.530338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.530338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.530338 (E_RNA)
where:
Base-Base interactions energy: -208.456
where: short stacking energy: -82.786
Base-Backbone interact. energy: -1.221
local terms energy: -69.853547
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -7.955
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: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -256.604519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.604519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.604519 (E_RNA)
where:
Base-Base interactions energy: -180.662
where: short stacking energy: -86.779
Base-Backbone interact. energy: 0.538
local terms energy: -76.480015
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -11.165
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: 6, replica: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -250.889979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.889979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.889979 (E_RNA)
where:
Base-Base interactions energy: -178.764
where: short stacking energy: -83.302
Base-Backbone interact. energy: -0.095
local terms energy: -72.030904
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -4.631
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: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -187.131239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.131239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.131239 (E_RNA)
where:
Base-Base interactions energy: -129.642
where: short stacking energy: -66.257
Base-Backbone interact. energy: -0.162
local terms energy: -57.327916
where:
bonds (distance) C4'-P energy: -8.013
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -5.369
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -212.699314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.699314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.699314 (E_RNA)
where:
Base-Base interactions energy: -147.061
where: short stacking energy: -64.850
Base-Backbone interact. energy: -0.178
local terms energy: -65.460327
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -12.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -231.316528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.316528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.316528 (E_RNA)
where:
Base-Base interactions energy: -172.037
where: short stacking energy: -67.737
Base-Backbone interact. energy: 0.875
local terms energy: -60.154268
where:
bonds (distance) C4'-P energy: -9.023
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -3.122
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -176.002923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.002923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.002923 (E_RNA)
where:
Base-Base interactions energy: -121.086
where: short stacking energy: -63.198
Base-Backbone interact. energy: 2.593
local terms energy: -57.509284
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -9.294
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -319.799090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.799090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.799090 (E_RNA)
where:
Base-Base interactions energy: -229.499
where: short stacking energy: -102.366
Base-Backbone interact. energy: -0.002
local terms energy: -90.298497
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -24.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -311.676665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.676665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.676665 (E_RNA)
where:
Base-Base interactions energy: -223.031
where: short stacking energy: -99.786
Base-Backbone interact. energy: -0.554
local terms energy: -88.091898
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -22.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -306.021506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.021506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.021506 (E_RNA)
where:
Base-Base interactions energy: -222.082
where: short stacking energy: -101.233
Base-Backbone interact. energy: -0.042
local terms energy: -83.897460
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -22.342
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: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -270.851948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.851948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.851948 (E_RNA)
where:
Base-Base interactions energy: -187.877
where: short stacking energy: -79.650
Base-Backbone interact. energy: -0.097
local terms energy: -82.877219
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -12.353
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: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -247.865283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.865283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.865283 (E_RNA)
where:
Base-Base interactions energy: -172.910
where: short stacking energy: -62.369
Base-Backbone interact. energy: -0.158
local terms energy: -74.797309
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -259.722061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.722061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.722061 (E_RNA)
where:
Base-Base interactions energy: -183.731
where: short stacking energy: -84.669
Base-Backbone interact. energy: -1.427
local terms energy: -74.563590
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -10.463
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: 7, replica: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -230.598000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.598000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.598000 (E_RNA)
where:
Base-Base interactions energy: -163.132
where: short stacking energy: -69.871
Base-Backbone interact. energy: -0.093
local terms energy: -67.373067
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -185.571046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.571046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.571046 (E_RNA)
where:
Base-Base interactions energy: -119.639
where: short stacking energy: -55.374
Base-Backbone interact. energy: -1.676
local terms energy: -64.255570
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -7.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -226.256545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.256545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.256545 (E_RNA)
where:
Base-Base interactions energy: -154.652
where: short stacking energy: -59.181
Base-Backbone interact. energy: 0.008
local terms energy: -71.612635
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -12.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -186.850893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.850893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.850893 (E_RNA)
where:
Base-Base interactions energy: -123.322
where: short stacking energy: -64.000
Base-Backbone interact. energy: -0.139
local terms energy: -63.389448
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -6.310
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: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -315.763177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.763177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.763177 (E_RNA)
where:
Base-Base interactions energy: -234.485
where: short stacking energy: -98.381
Base-Backbone interact. energy: -0.534
local terms energy: -80.744544
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -24.490
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: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -312.540014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.540014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.540014 (E_RNA)
where:
Base-Base interactions energy: -231.495
where: short stacking energy: -100.011
Base-Backbone interact. energy: -0.004
local terms energy: -81.040607
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -25.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -303.521698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.521698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.521698 (E_RNA)
where:
Base-Base interactions energy: -219.437
where: short stacking energy: -101.406
Base-Backbone interact. energy: -0.104
local terms energy: -83.980461
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -24.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -279.013878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.013878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.013878 (E_RNA)
where:
Base-Base interactions energy: -196.064
where: short stacking energy: -86.356
Base-Backbone interact. energy: -0.192
local terms energy: -82.758240
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -11.762
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: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -253.156419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.156419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.156419 (E_RNA)
where:
Base-Base interactions energy: -178.486
where: short stacking energy: -83.816
Base-Backbone interact. energy: -0.121
local terms energy: -74.549407
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -17.654
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: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -250.678795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.678795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.678795 (E_RNA)
where:
Base-Base interactions energy: -171.831
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.164
local terms energy: -78.683986
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -240.945318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.945318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.945318 (E_RNA)
where:
Base-Base interactions energy: -165.705
where: short stacking energy: -70.344
Base-Backbone interact. energy: -0.099
local terms energy: -75.141356
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -225.018325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.018325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.018325 (E_RNA)
where:
Base-Base interactions energy: -155.114
where: short stacking energy: -70.983
Base-Backbone interact. energy: -1.574
local terms energy: -68.330646
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -190.104848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.104848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.104848 (E_RNA)
where:
Base-Base interactions energy: -130.246
where: short stacking energy: -69.041
Base-Backbone interact. energy: -0.055
local terms energy: -59.803393
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -10.463
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: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -195.559883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.559883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.559883 (E_RNA)
where:
Base-Base interactions energy: -129.186
where: short stacking energy: -56.678
Base-Backbone interact. energy: -0.349
local terms energy: -66.024307
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -13.519
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: 208
Temperature: 0.900000
Total energy: -313.830186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.830186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.830186 (E_RNA)
where:
Base-Base interactions energy: -223.200
where: short stacking energy: -103.069
Base-Backbone interact. energy: -0.007
local terms energy: -90.622834
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -24.397
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: 6
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -313.959186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.959186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.959186 (E_RNA)
where:
Base-Base interactions energy: -226.152
where: short stacking energy: -99.520
Base-Backbone interact. energy: -0.106
local terms energy: -87.701104
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -307.393842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.393842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.393842 (E_RNA)
where:
Base-Base interactions energy: -218.467
where: short stacking energy: -95.952
Base-Backbone interact. energy: -0.019
local terms energy: -88.907474
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -23.589
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: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -274.310658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.310658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.310658 (E_RNA)
where:
Base-Base interactions energy: -196.720
where: short stacking energy: -85.968
Base-Backbone interact. energy: -0.061
local terms energy: -77.529249
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -18.100
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: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -272.179327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.179327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.179327 (E_RNA)
where:
Base-Base interactions energy: -191.992
where: short stacking energy: -89.270
Base-Backbone interact. energy: -0.796
local terms energy: -79.390863
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -20.283
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: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -249.824105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.824105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.824105 (E_RNA)
where:
Base-Base interactions energy: -178.545
where: short stacking energy: -71.307
Base-Backbone interact. energy: -0.160
local terms energy: -71.118993
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -14.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -255.865439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.865439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.865439 (E_RNA)
where:
Base-Base interactions energy: -190.486
where: short stacking energy: -76.934
Base-Backbone interact. energy: 2.870
local terms energy: -68.248901
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -236.163210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.163210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.163210 (E_RNA)
where:
Base-Base interactions energy: -158.429
where: short stacking energy: -69.863
Base-Backbone interact. energy: -0.571
local terms energy: -77.162831
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -208.467047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.467047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.467047 (E_RNA)
where:
Base-Base interactions energy: -142.220
where: short stacking energy: -76.558
Base-Backbone interact. energy: -0.003
local terms energy: -66.244033
where:
bonds (distance) C4'-P energy: -7.168
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -174.422456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.422456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.422456 (E_RNA)
where:
Base-Base interactions energy: -114.907
where: short stacking energy: -56.909
Base-Backbone interact. energy: -0.174
local terms energy: -59.342324
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -9.429
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: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -315.562925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.562925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.562925 (E_RNA)
where:
Base-Base interactions energy: -227.735
where: short stacking energy: -103.067
Base-Backbone interact. energy: -0.002
local terms energy: -87.825502
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -25.200
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: 2, replica: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -320.062245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.062245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.062245 (E_RNA)
where:
Base-Base interactions energy: -235.501
where: short stacking energy: -105.408
Base-Backbone interact. energy: -0.010
local terms energy: -84.550783
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -25.861
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: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -298.282945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.282945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.282945 (E_RNA)
where:
Base-Base interactions energy: -215.744
where: short stacking energy: -95.202
Base-Backbone interact. energy: -0.001
local terms energy: -82.537961
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -21.263
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: 7
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -251.040989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.040989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.040989 (E_RNA)
where:
Base-Base interactions energy: -175.497
where: short stacking energy: -63.874
Base-Backbone interact. energy: -1.850
local terms energy: -73.694302
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -9.102
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: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -272.153020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.153020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.153020 (E_RNA)
where:
Base-Base interactions energy: -192.451
where: short stacking energy: -87.296
Base-Backbone interact. energy: -0.559
local terms energy: -79.142866
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -276.193957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.193957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.193957 (E_RNA)
where:
Base-Base interactions energy: -202.135
where: short stacking energy: -81.037
Base-Backbone interact. energy: 1.856
local terms energy: -75.914249
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -16.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -239.947701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.947701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.947701 (E_RNA)
where:
Base-Base interactions energy: -162.093
where: short stacking energy: -57.400
Base-Backbone interact. energy: -0.185
local terms energy: -77.669060
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -9.903
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: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -212.572221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.572221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.572221 (E_RNA)
where:
Base-Base interactions energy: -138.966
where: short stacking energy: -73.185
Base-Backbone interact. energy: -0.062
local terms energy: -73.543665
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -15.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -235.588818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.588818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.588818 (E_RNA)
where:
Base-Base interactions energy: -167.054
where: short stacking energy: -68.770
Base-Backbone interact. energy: 0.391
local terms energy: -68.925622
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -185.845845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.845845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.845845 (E_RNA)
where:
Base-Base interactions energy: -118.625
where: short stacking energy: -66.496
Base-Backbone interact. energy: -1.437
local terms energy: -65.784124
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -317.298620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.298620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.298620 (E_RNA)
where:
Base-Base interactions energy: -227.288
where: short stacking energy: -102.512
Base-Backbone interact. energy: -0.010
local terms energy: -90.000560
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -24.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -310.747387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.747387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.747387 (E_RNA)
where:
Base-Base interactions energy: -222.118
where: short stacking energy: -94.912
Base-Backbone interact. energy: -0.010
local terms energy: -88.618753
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -25.690
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: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -309.822821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.822821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.822821 (E_RNA)
where:
Base-Base interactions energy: -220.791
where: short stacking energy: -98.538
Base-Backbone interact. energy: -0.046
local terms energy: -88.985785
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -23.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -254.808495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.808495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.808495 (E_RNA)
where:
Base-Base interactions energy: -182.915
where: short stacking energy: -79.114
Base-Backbone interact. energy: -1.004
local terms energy: -70.889934
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -275.992944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.992944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.992944 (E_RNA)
where:
Base-Base interactions energy: -194.111
where: short stacking energy: -83.437
Base-Backbone interact. energy: 1.635
local terms energy: -83.516892
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -261.632387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.632387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.632387 (E_RNA)
where:
Base-Base interactions energy: -186.467
where: short stacking energy: -71.763
Base-Backbone interact. energy: -0.395
local terms energy: -74.770028
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -12.231
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: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -201.873069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.873069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.873069 (E_RNA)
where:
Base-Base interactions energy: -135.062
where: short stacking energy: -82.663
Base-Backbone interact. energy: -0.015
local terms energy: -66.795868
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -217.651240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.651240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.651240 (E_RNA)
where:
Base-Base interactions energy: -145.989
where: short stacking energy: -62.197
Base-Backbone interact. energy: 1.072
local terms energy: -72.734492
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -222.004557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.004557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.004557 (E_RNA)
where:
Base-Base interactions energy: -160.510
where: short stacking energy: -73.797
Base-Backbone interact. energy: 1.854
local terms energy: -63.348358
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -191.360985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.360985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.360985 (E_RNA)
where:
Base-Base interactions energy: -124.587
where: short stacking energy: -60.955
Base-Backbone interact. energy: -0.264
local terms energy: -66.509797
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -317.037160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.037160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.037160 (E_RNA)
where:
Base-Base interactions energy: -223.352
where: short stacking energy: -107.943
Base-Backbone interact. energy: -0.044
local terms energy: -93.641061
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -27.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -308.930368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.930368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.930368 (E_RNA)
where:
Base-Base interactions energy: -225.351
where: short stacking energy: -98.955
Base-Backbone interact. energy: -0.123
local terms energy: -83.456203
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -310.123907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.123907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.123907 (E_RNA)
where:
Base-Base interactions energy: -227.254
where: short stacking energy: -94.225
Base-Backbone interact. energy: 0.185
local terms energy: -83.055088
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -23.895
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: 211
Temperature: 1.050000
Total energy: -274.842646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.842646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.842646 (E_RNA)
where:
Base-Base interactions energy: -199.998
where: short stacking energy: -86.063
Base-Backbone interact. energy: -0.032
local terms energy: -74.812737
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -247.112104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.112104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.112104 (E_RNA)
where:
Base-Base interactions energy: -180.403
where: short stacking energy: -78.003
Base-Backbone interact. energy: -0.286
local terms energy: -66.423154
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -270.642445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.642445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.642445 (E_RNA)
where:
Base-Base interactions energy: -194.776
where: short stacking energy: -82.687
Base-Backbone interact. energy: 0.062
local terms energy: -75.928619
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -194.638665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.638665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.638665 (E_RNA)
where:
Base-Base interactions energy: -134.242
where: short stacking energy: -64.687
Base-Backbone interact. energy: -0.207
local terms energy: -60.189170
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -232.497974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.497974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.497974 (E_RNA)
where:
Base-Base interactions energy: -162.464
where: short stacking energy: -71.367
Base-Backbone interact. energy: 2.066
local terms energy: -72.100506
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -224.760163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.760163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.760163 (E_RNA)
where:
Base-Base interactions energy: -158.082
where: short stacking energy: -69.091
Base-Backbone interact. energy: -0.144
local terms energy: -66.533749
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -12.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -195.441918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.441918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.441918 (E_RNA)
where:
Base-Base interactions energy: -122.709
where: short stacking energy: -71.405
Base-Backbone interact. energy: -0.013
local terms energy: -72.719978
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -316.194536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.194536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.194536 (E_RNA)
where:
Base-Base interactions energy: -231.515
where: short stacking energy: -101.173
Base-Backbone interact. energy: 0.778
local terms energy: -85.457561
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -21.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -315.467842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.467842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.467842 (E_RNA)
where:
Base-Base interactions energy: -223.485
where: short stacking energy: -102.354
Base-Backbone interact. energy: 0.863
local terms energy: -92.845718
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -27.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -306.830486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.830486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.830486 (E_RNA)
where:
Base-Base interactions energy: -217.723
where: short stacking energy: -88.445
Base-Backbone interact. energy: -0.002
local terms energy: -89.105774
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -23.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -272.159831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.159831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.159831 (E_RNA)
where:
Base-Base interactions energy: -201.285
where: short stacking energy: -87.073
Base-Backbone interact. energy: 0.014
local terms energy: -70.889186
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -269.426217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.426217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.426217 (E_RNA)
where:
Base-Base interactions energy: -193.606
where: short stacking energy: -86.803
Base-Backbone interact. energy: -0.261
local terms energy: -75.559106
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -246.171398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.171398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.171398 (E_RNA)
where:
Base-Base interactions energy: -177.076
where: short stacking energy: -75.746
Base-Backbone interact. energy: -0.810
local terms energy: -68.285461
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -252.829366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.829366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.829366 (E_RNA)
where:
Base-Base interactions energy: -181.703
where: short stacking energy: -78.620
Base-Backbone interact. energy: -0.169
local terms energy: -70.957626
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -206.336455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.336455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.336455 (E_RNA)
where:
Base-Base interactions energy: -137.014
where: short stacking energy: -64.123
Base-Backbone interact. energy: -0.144
local terms energy: -69.177633
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -11.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -222.844793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.844793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.844793 (E_RNA)
where:
Base-Base interactions energy: -164.493
where: short stacking energy: -70.581
Base-Backbone interact. energy: -0.134
local terms energy: -58.217869
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -1.844
tors. eta vs tors. theta energy: -14.862
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: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -195.654582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.654582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.654582 (E_RNA)
where:
Base-Base interactions energy: -136.799
where: short stacking energy: -60.166
Base-Backbone interact. energy: 1.661
local terms energy: -60.516530
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -12.928
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: 1, replica: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -317.716828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.716828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.716828 (E_RNA)
where:
Base-Base interactions energy: -225.222
where: short stacking energy: -96.130
Base-Backbone interact. energy: -0.001
local terms energy: -92.493394
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -314.253540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.253540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.253540 (E_RNA)
where:
Base-Base interactions energy: -227.130
where: short stacking energy: -107.295
Base-Backbone interact. energy: -0.005
local terms energy: -87.118980
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -25.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -306.987951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.987951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.987951 (E_RNA)
where:
Base-Base interactions energy: -216.950
where: short stacking energy: -103.005
Base-Backbone interact. energy: 0.764
local terms energy: -90.801781
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -273.512325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.512325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.512325 (E_RNA)
where:
Base-Base interactions energy: -198.607
where: short stacking energy: -90.625
Base-Backbone interact. energy: -0.199
local terms energy: -74.706214
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -263.470632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.470632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.470632 (E_RNA)
where:
Base-Base interactions energy: -199.757
where: short stacking energy: -77.572
Base-Backbone interact. energy: -1.719
local terms energy: -61.994635
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -10.310
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: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -242.170837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.170837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.170837 (E_RNA)
where:
Base-Base interactions energy: -171.690
where: short stacking energy: -74.466
Base-Backbone interact. energy: -0.112
local terms energy: -70.369229
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -237.863641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.863641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.863641 (E_RNA)
where:
Base-Base interactions energy: -178.490
where: short stacking energy: -61.739
Base-Backbone interact. energy: -0.134
local terms energy: -59.239117
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -4.272
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: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -221.216801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.216801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.216801 (E_RNA)
where:
Base-Base interactions energy: -158.941
where: short stacking energy: -64.191
Base-Backbone interact. energy: -0.480
local terms energy: -61.795159
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -1.172
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: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -185.994465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.994465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.994465 (E_RNA)
where:
Base-Base interactions energy: -120.009
where: short stacking energy: -54.864
Base-Backbone interact. energy: -0.229
local terms energy: -65.756407
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -12.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -202.231958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.231958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.231958 (E_RNA)
where:
Base-Base interactions energy: -135.380
where: short stacking energy: -68.173
Base-Backbone interact. energy: -0.173
local terms energy: -66.678332
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -18.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -315.431860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.431860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.431860 (E_RNA)
where:
Base-Base interactions energy: -223.378
where: short stacking energy: -95.558
Base-Backbone interact. energy: -0.210
local terms energy: -91.843382
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -305.868320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.868320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.868320 (E_RNA)
where:
Base-Base interactions energy: -223.806
where: short stacking energy: -101.622
Base-Backbone interact. energy: -0.003
local terms energy: -82.059727
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -24.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -320.144314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.144314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.144314 (E_RNA)
where:
Base-Base interactions energy: -232.283
where: short stacking energy: -99.168
Base-Backbone interact. energy: 0.060
local terms energy: -87.920864
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -25.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -279.725104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.725104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.725104 (E_RNA)
where:
Base-Base interactions energy: -194.200
where: short stacking energy: -82.474
Base-Backbone interact. energy: -0.144
local terms energy: -85.380700
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -265.866014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.866014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.866014 (E_RNA)
where:
Base-Base interactions energy: -188.460
where: short stacking energy: -77.419
Base-Backbone interact. energy: -1.474
local terms energy: -75.931862
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -14.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -253.874055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.874055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.874055 (E_RNA)
where:
Base-Base interactions energy: -183.013
where: short stacking energy: -82.944
Base-Backbone interact. energy: -0.949
local terms energy: -69.912077
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -231.253070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.253070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.253070 (E_RNA)
where:
Base-Base interactions energy: -164.796
where: short stacking energy: -70.352
Base-Backbone interact. energy: -0.146
local terms energy: -66.310858
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -4.662
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: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -226.195302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.195302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.195302 (E_RNA)
where:
Base-Base interactions energy: -166.282
where: short stacking energy: -77.259
Base-Backbone interact. energy: -0.009
local terms energy: -59.903550
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -205.856048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.856048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.856048 (E_RNA)
where:
Base-Base interactions energy: -139.586
where: short stacking energy: -73.747
Base-Backbone interact. energy: -0.420
local terms energy: -65.849975
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -16.360
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: 214
Temperature: 1.350000
Total energy: -200.658404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.658404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.658404 (E_RNA)
where:
Base-Base interactions energy: -139.315
where: short stacking energy: -72.686
Base-Backbone interact. energy: -0.295
local terms energy: -61.048141
where:
bonds (distance) C4'-P energy: -5.905
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -313.637159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.637159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.637159 (E_RNA)
where:
Base-Base interactions energy: -223.758
where: short stacking energy: -99.898
Base-Backbone interact. energy: -0.093
local terms energy: -89.786484
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -23.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -307.846802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.846802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.846802 (E_RNA)
where:
Base-Base interactions energy: -220.822
where: short stacking energy: -101.204
Base-Backbone interact. energy: 0.079
local terms energy: -87.103652
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -310.201955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.201955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.201955 (E_RNA)
where:
Base-Base interactions energy: -224.590
where: short stacking energy: -104.252
Base-Backbone interact. energy: -0.043
local terms energy: -85.569200
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -21.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -265.332671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.332671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.332671 (E_RNA)
where:
Base-Base interactions energy: -187.733
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.860
local terms energy: -76.739711
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -262.477095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.477095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.477095 (E_RNA)
where:
Base-Base interactions energy: -191.978
where: short stacking energy: -84.743
Base-Backbone interact. energy: -0.060
local terms energy: -70.439415
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -244.314543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.314543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.314543 (E_RNA)
where:
Base-Base interactions energy: -167.786
where: short stacking energy: -70.355
Base-Backbone interact. energy: -0.559
local terms energy: -75.969748
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -250.279818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.279818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.279818 (E_RNA)
where:
Base-Base interactions energy: -181.238
where: short stacking energy: -75.686
Base-Backbone interact. energy: -0.439
local terms energy: -68.602983
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -3.124
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: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -231.823129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.823129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.823129 (E_RNA)
where:
Base-Base interactions energy: -170.580
where: short stacking energy: -72.255
Base-Backbone interact. energy: -0.020
local terms energy: -61.223133
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -8.964
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: 9, replica: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -200.280165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.280165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.280165 (E_RNA)
where:
Base-Base interactions energy: -129.295
where: short stacking energy: -65.908
Base-Backbone interact. energy: -0.383
local terms energy: -70.601765
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -14.508
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: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -183.141644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.141644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.141644 (E_RNA)
where:
Base-Base interactions energy: -117.880
where: short stacking energy: -58.484
Base-Backbone interact. energy: -0.083
local terms energy: -65.178953
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -7.002
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: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -315.585282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.585282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.585282 (E_RNA)
where:
Base-Base interactions energy: -229.990
where: short stacking energy: -102.140
Base-Backbone interact. energy: -0.030
local terms energy: -85.565517
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -23.908
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: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -317.096876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.096876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.096876 (E_RNA)
where:
Base-Base interactions energy: -228.985
where: short stacking energy: -102.536
Base-Backbone interact. energy: -0.001
local terms energy: -88.110619
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -27.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -275.836669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.836669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.836669 (E_RNA)
where:
Base-Base interactions energy: -191.733
where: short stacking energy: -80.462
Base-Backbone interact. energy: -0.703
local terms energy: -83.400999
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -12.254
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: 4, replica: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -305.832643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.832643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.832643 (E_RNA)
where:
Base-Base interactions energy: -220.704
where: short stacking energy: -99.096
Base-Backbone interact. energy: -0.015
local terms energy: -85.114079
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -25.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -273.340152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.340152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.340152 (E_RNA)
where:
Base-Base interactions energy: -199.391
where: short stacking energy: -78.045
Base-Backbone interact. energy: -0.090
local terms energy: -73.859004
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -12.805
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: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -234.011219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.011219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.011219 (E_RNA)
where:
Base-Base interactions energy: -158.337
where: short stacking energy: -71.946
Base-Backbone interact. energy: -1.219
local terms energy: -74.455457
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -238.857181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.857181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.857181 (E_RNA)
where:
Base-Base interactions energy: -176.131
where: short stacking energy: -78.654
Base-Backbone interact. energy: -0.584
local terms energy: -62.142126
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -10.226
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -4.742
tors. eta vs tors. theta energy: -19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -245.266210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.266210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.266210 (E_RNA)
where:
Base-Base interactions energy: -181.655
where: short stacking energy: -77.606
Base-Backbone interact. energy: -0.258
local terms energy: -63.352845
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -219.488588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.488588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.488588 (E_RNA)
where:
Base-Base interactions energy: -146.215
where: short stacking energy: -66.929
Base-Backbone interact. energy: -0.912
local terms energy: -72.361075
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -12.879
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: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -179.246031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.246031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.246031 (E_RNA)
where:
Base-Base interactions energy: -111.744
where: short stacking energy: -58.515
Base-Backbone interact. energy: -0.358
local terms energy: -67.144111
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -313.978998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.978998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.978998 (E_RNA)
where:
Base-Base interactions energy: -223.749
where: short stacking energy: -101.685
Base-Backbone interact. energy: -0.413
local terms energy: -89.816578
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -22.251
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: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -312.297376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.297376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.297376 (E_RNA)
where:
Base-Base interactions energy: -223.938
where: short stacking energy: -99.116
Base-Backbone interact. energy: -0.466
local terms energy: -87.893527
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -24.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -269.384556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.384556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.384556 (E_RNA)
where:
Base-Base interactions energy: -195.871
where: short stacking energy: -81.543
Base-Backbone interact. energy: -0.221
local terms energy: -73.291993
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -10.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -282.463665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.463665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.463665 (E_RNA)
where:
Base-Base interactions energy: -210.029
where: short stacking energy: -81.697
Base-Backbone interact. energy: -0.670
local terms energy: -71.764399
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -300.031580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.031580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.031580 (E_RNA)
where:
Base-Base interactions energy: -217.255
where: short stacking energy: -96.342
Base-Backbone interact. energy: -0.003
local terms energy: -82.773682
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -242.588337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.588337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.588337 (E_RNA)
where:
Base-Base interactions energy: -166.509
where: short stacking energy: -71.866
Base-Backbone interact. energy: -0.581
local terms energy: -75.498230
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -10.514
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: 7, replica: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -230.340018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.340018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.340018 (E_RNA)
where:
Base-Base interactions energy: -163.204
where: short stacking energy: -68.329
Base-Backbone interact. energy: -0.106
local terms energy: -67.030336
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -6.637
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: 8, replica: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -240.678253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.678253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.678253 (E_RNA)
where:
Base-Base interactions energy: -170.105
where: short stacking energy: -78.853
Base-Backbone interact. energy: -0.450
local terms energy: -70.122684
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -224.011528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.011528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.011528 (E_RNA)
where:
Base-Base interactions energy: -162.025
where: short stacking energy: -73.916
Base-Backbone interact. energy: 4.082
local terms energy: -66.068776
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -15.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -216.828889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.828889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.828889 (E_RNA)
where:
Base-Base interactions energy: -145.546
where: short stacking energy: -74.306
Base-Backbone interact. energy: -1.229
local terms energy: -70.053995
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -314.915202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.915202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.915202 (E_RNA)
where:
Base-Base interactions energy: -234.048
where: short stacking energy: -105.294
Base-Backbone interact. energy: -0.013
local terms energy: -80.854412
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -24.604
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: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -318.689376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.689376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.689376 (E_RNA)
where:
Base-Base interactions energy: -221.172
where: short stacking energy: -108.173
Base-Backbone interact. energy: -0.869
local terms energy: -96.648339
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -26.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -280.163237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.163237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.163237 (E_RNA)
where:
Base-Base interactions energy: -205.468
where: short stacking energy: -83.764
Base-Backbone interact. energy: -0.219
local terms energy: -74.476299
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -275.014440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.014440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.014440 (E_RNA)
where:
Base-Base interactions energy: -198.564
where: short stacking energy: -85.965
Base-Backbone interact. energy: 0.556
local terms energy: -77.006321
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -302.101846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.101846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.101846 (E_RNA)
where:
Base-Base interactions energy: -218.704
where: short stacking energy: -95.507
Base-Backbone interact. energy: -0.013
local terms energy: -83.384777
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -237.610134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.610134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.610134 (E_RNA)
where:
Base-Base interactions energy: -166.638
where: short stacking energy: -85.956
Base-Backbone interact. energy: -0.129
local terms energy: -70.842824
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -10.796
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: 7, replica: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -237.161620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.161620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.161620 (E_RNA)
where:
Base-Base interactions energy: -161.811
where: short stacking energy: -84.768
Base-Backbone interact. energy: -0.006
local terms energy: -75.344797
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -11.867
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: 8, replica: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -236.807533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.807533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.807533 (E_RNA)
where:
Base-Base interactions energy: -165.131
where: short stacking energy: -77.482
Base-Backbone interact. energy: -0.010
local terms energy: -71.666959
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -189.814616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.814616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.814616 (E_RNA)
where:
Base-Base interactions energy: -122.409
where: short stacking energy: -44.651
Base-Backbone interact. energy: -0.364
local terms energy: -67.041813
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -145.682463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.682463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.682463 (E_RNA)
where:
Base-Base interactions energy: -78.702
where: short stacking energy: -49.019
Base-Backbone interact. energy: -0.068
local terms energy: -66.912740
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -9.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -319.627592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.627592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.627592 (E_RNA)
where:
Base-Base interactions energy: -232.575
where: short stacking energy: -105.342
Base-Backbone interact. energy: -0.042
local terms energy: -87.010646
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -25.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -313.307239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.307239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.307239 (E_RNA)
where:
Base-Base interactions energy: -227.865
where: short stacking energy: -102.769
Base-Backbone interact. energy: -0.024
local terms energy: -85.418419
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -24.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -286.655936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.655936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.655936 (E_RNA)
where:
Base-Base interactions energy: -206.362
where: short stacking energy: -84.651
Base-Backbone interact. energy: 0.424
local terms energy: -80.718296
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -302.195479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.195479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.195479 (E_RNA)
where:
Base-Base interactions energy: -217.241
where: short stacking energy: -101.743
Base-Backbone interact. energy: 0.145
local terms energy: -85.100146
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -24.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -261.757565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.757565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.757565 (E_RNA)
where:
Base-Base interactions energy: -192.496
where: short stacking energy: -79.180
Base-Backbone interact. energy: 0.474
local terms energy: -69.735416
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -261.925904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.925904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.925904 (E_RNA)
where:
Base-Base interactions energy: -187.259
where: short stacking energy: -81.071
Base-Backbone interact. energy: -0.006
local terms energy: -74.661155
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -214.084162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.084162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.084162 (E_RNA)
where:
Base-Base interactions energy: -147.313
where: short stacking energy: -77.233
Base-Backbone interact. energy: -0.027
local terms energy: -66.744026
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -7.797
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -17.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -233.480831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.480831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.480831 (E_RNA)
where:
Base-Base interactions energy: -162.876
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.372
local terms energy: -70.232527
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -202.602705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.602705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.602705 (E_RNA)
where:
Base-Base interactions energy: -137.846
where: short stacking energy: -77.835
Base-Backbone interact. energy: -0.107
local terms energy: -64.649992
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -13.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -156.369453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.369453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.369453 (E_RNA)
where:
Base-Base interactions energy: -95.234
where: short stacking energy: -44.807
Base-Backbone interact. energy: -0.365
local terms energy: -60.770206
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -314.076485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.076485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.076485 (E_RNA)
where:
Base-Base interactions energy: -226.941
where: short stacking energy: -100.093
Base-Backbone interact. energy: -0.170
local terms energy: -86.965679
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -301.234959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.234959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.234959 (E_RNA)
where:
Base-Base interactions energy: -221.126
where: short stacking energy: -89.615
Base-Backbone interact. energy: -1.250
local terms energy: -78.859153
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -22.279
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: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -305.440748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.440748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.440748 (E_RNA)
where:
Base-Base interactions energy: -220.791
where: short stacking energy: -93.362
Base-Backbone interact. energy: -0.024
local terms energy: -84.625946
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -22.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -276.216303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.216303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.216303 (E_RNA)
where:
Base-Base interactions energy: -197.675
where: short stacking energy: -85.719
Base-Backbone interact. energy: -0.161
local terms energy: -78.380169
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -21.506
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: 5, replica: 9
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -271.693068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.693068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.693068 (E_RNA)
where:
Base-Base interactions energy: -203.828
where: short stacking energy: -79.910
Base-Backbone interact. energy: -0.634
local terms energy: -67.230846
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -256.129564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.129564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.129564 (E_RNA)
where:
Base-Base interactions energy: -180.535
where: short stacking energy: -86.692
Base-Backbone interact. energy: -0.009
local terms energy: -75.586126
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -20.801
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -225.458857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.458857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.458857 (E_RNA)
where:
Base-Base interactions energy: -158.410
where: short stacking energy: -66.532
Base-Backbone interact. energy: 1.300
local terms energy: -68.348253
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -13.048
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: 8, replica: 2
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -225.966319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.966319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.966319 (E_RNA)
where:
Base-Base interactions energy: -153.858
where: short stacking energy: -69.766
Base-Backbone interact. energy: -0.210
local terms energy: -71.898704
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -9.556
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: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -171.794969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.794969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.794969 (E_RNA)
where:
Base-Base interactions energy: -107.432
where: short stacking energy: -60.904
Base-Backbone interact. energy: -0.191
local terms energy: -64.171367
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -14.326
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: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -207.444082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.444082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.444082 (E_RNA)
where:
Base-Base interactions energy: -146.365
where: short stacking energy: -75.819
Base-Backbone interact. energy: -0.001
local terms energy: -61.078197
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -315.097329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.097329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.097329 (E_RNA)
where:
Base-Base interactions energy: -219.208
where: short stacking energy: -99.740
Base-Backbone interact. energy: -0.000
local terms energy: -95.889219
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -27.026
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: 6
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -313.544666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.544666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.544666 (E_RNA)
where:
Base-Base interactions energy: -230.332
where: short stacking energy: -101.990
Base-Backbone interact. energy: -0.011
local terms energy: -83.202353
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -24.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -290.263017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.263017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.263017 (E_RNA)
where:
Base-Base interactions energy: -211.281
where: short stacking energy: -92.109
Base-Backbone interact. energy: -0.115
local terms energy: -78.867165
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -24.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -279.976151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.976151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.976151 (E_RNA)
where:
Base-Base interactions energy: -198.709
where: short stacking energy: -77.880
Base-Backbone interact. energy: -0.675
local terms energy: -80.591387
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -12.989
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: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -276.272319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.272319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.272319 (E_RNA)
where:
Base-Base interactions energy: -196.388
where: short stacking energy: -87.045
Base-Backbone interact. energy: 1.225
local terms energy: -81.109891
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -20.624
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: 221
Temperature: 1.150000
Total energy: -243.355694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.355694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.355694 (E_RNA)
where:
Base-Base interactions energy: -169.628
where: short stacking energy: -77.046
Base-Backbone interact. energy: 0.575
local terms energy: -74.303553
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -8.782
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -229.216676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.216676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.216676 (E_RNA)
where:
Base-Base interactions energy: -161.597
where: short stacking energy: -64.380
Base-Backbone interact. energy: -0.121
local terms energy: -67.498455
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -14.112
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: 8, replica: 2
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -231.963181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.963181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.963181 (E_RNA)
where:
Base-Base interactions energy: -165.102
where: short stacking energy: -84.095
Base-Backbone interact. energy: 2.068
local terms energy: -68.929191
where:
bonds (distance) C4'-P energy: -8.067
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -19.045
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: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -187.464838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.464838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.464838 (E_RNA)
where:
Base-Base interactions energy: -133.172
where: short stacking energy: -54.978
Base-Backbone interact. energy: -0.193
local terms energy: -54.100309
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -8.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -194.868557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.868557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.868557 (E_RNA)
where:
Base-Base interactions energy: -136.184
where: short stacking energy: -52.859
Base-Backbone interact. energy: 0.447
local terms energy: -59.131458
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -2.321
tors. eta vs tors. theta energy: -13.558
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: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -317.888581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.888581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.888581 (E_RNA)
where:
Base-Base interactions energy: -223.365
where: short stacking energy: -106.874
Base-Backbone interact. energy: -0.001
local terms energy: -94.522755
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -25.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -313.763873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.763873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.763873 (E_RNA)
where:
Base-Base interactions energy: -221.149
where: short stacking energy: -94.880
Base-Backbone interact. energy: 0.133
local terms energy: -92.747806
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -25.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -295.447115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.447115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.447115 (E_RNA)
where:
Base-Base interactions energy: -211.161
where: short stacking energy: -91.817
Base-Backbone interact. energy: 1.361
local terms energy: -85.646885
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -18.365
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: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -292.409411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.409411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.409411 (E_RNA)
where:
Base-Base interactions energy: -212.943
where: short stacking energy: -96.618
Base-Backbone interact. energy: -0.003
local terms energy: -79.463142
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -24.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -265.055976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.055976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.055976 (E_RNA)
where:
Base-Base interactions energy: -187.857
where: short stacking energy: -80.221
Base-Backbone interact. energy: -0.281
local terms energy: -76.917199
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -247.014932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.014932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.014932 (E_RNA)
where:
Base-Base interactions energy: -182.693
where: short stacking energy: -78.771
Base-Backbone interact. energy: 2.456
local terms energy: -66.778489
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -14.310
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: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -235.462026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.462026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.462026 (E_RNA)
where:
Base-Base interactions energy: -168.754
where: short stacking energy: -65.716
Base-Backbone interact. energy: 0.746
local terms energy: -67.454729
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -235.985549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.985549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.985549 (E_RNA)
where:
Base-Base interactions energy: -171.867
where: short stacking energy: -83.196
Base-Backbone interact. energy: 2.318
local terms energy: -66.435968
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -7.687
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -201.595893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.595893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.595893 (E_RNA)
where:
Base-Base interactions energy: -133.121
where: short stacking energy: -78.854
Base-Backbone interact. energy: -0.003
local terms energy: -68.471473
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -191.325144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.325144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.325144 (E_RNA)
where:
Base-Base interactions energy: -129.079
where: short stacking energy: -63.675
Base-Backbone interact. energy: -0.049
local terms energy: -62.197518
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -11.768
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: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -323.207312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.207312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.207312 (E_RNA)
where:
Base-Base interactions energy: -230.023
where: short stacking energy: -103.719
Base-Backbone interact. energy: -0.001
local terms energy: -93.183843
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -27.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -311.070598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.070598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.070598 (E_RNA)
where:
Base-Base interactions energy: -232.384
where: short stacking energy: -94.037
Base-Backbone interact. energy: 0.130
local terms energy: -78.816940
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -10.265
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -286.056980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.056980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.056980 (E_RNA)
where:
Base-Base interactions energy: -207.568
where: short stacking energy: -89.210
Base-Backbone interact. energy: -0.257
local terms energy: -78.232168
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -14.893
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: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -293.112779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.112779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.112779 (E_RNA)
where:
Base-Base interactions energy: -212.905
where: short stacking energy: -77.637
Base-Backbone interact. energy: -0.223
local terms energy: -79.984294
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -25.040
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: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -270.056255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.056255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.056255 (E_RNA)
where:
Base-Base interactions energy: -186.826
where: short stacking energy: -76.581
Base-Backbone interact. energy: -0.215
local terms energy: -83.015160
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -16.552
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: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -251.076025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.076025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.076025 (E_RNA)
where:
Base-Base interactions energy: -184.835
where: short stacking energy: -65.685
Base-Backbone interact. energy: -0.184
local terms energy: -66.056404
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -242.230858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.230858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.230858 (E_RNA)
where:
Base-Base interactions energy: -168.552
where: short stacking energy: -79.951
Base-Backbone interact. energy: -0.035
local terms energy: -73.643984
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -193.416918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.416918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.416918 (E_RNA)
where:
Base-Base interactions energy: -126.350
where: short stacking energy: -63.418
Base-Backbone interact. energy: -0.561
local terms energy: -66.506155
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -205.076992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.076992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.076992 (E_RNA)
where:
Base-Base interactions energy: -144.031
where: short stacking energy: -68.371
Base-Backbone interact. energy: -0.081
local terms energy: -60.964853
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -7.080
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: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -228.699911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.699911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.699911 (E_RNA)
where:
Base-Base interactions energy: -163.333
where: short stacking energy: -74.082
Base-Backbone interact. energy: -0.344
local terms energy: -65.023183
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -15.572
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: 6
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -314.814659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.814659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.814659 (E_RNA)
where:
Base-Base interactions energy: -230.607
where: short stacking energy: -99.822
Base-Backbone interact. energy: -0.098
local terms energy: -84.109239
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -24.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -320.068415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.068415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.068415 (E_RNA)
where:
Base-Base interactions energy: -225.295
where: short stacking energy: -98.500
Base-Backbone interact. energy: -0.249
local terms energy: -94.523823
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -26.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -309.841171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.841171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.841171 (E_RNA)
where:
Base-Base interactions energy: -223.639
where: short stacking energy: -101.305
Base-Backbone interact. energy: -0.001
local terms energy: -86.201257
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -27.184
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: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -274.747177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.747177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.747177 (E_RNA)
where:
Base-Base interactions energy: -193.892
where: short stacking energy: -83.074
Base-Backbone interact. energy: 5.745
local terms energy: -86.600418
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -16.679
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: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -256.300006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.300006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.300006 (E_RNA)
where:
Base-Base interactions energy: -183.242
where: short stacking energy: -79.623
Base-Backbone interact. energy: -0.089
local terms energy: -72.969108
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -266.417485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.417485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.417485 (E_RNA)
where:
Base-Base interactions energy: -192.083
where: short stacking energy: -76.389
Base-Backbone interact. energy: -0.391
local terms energy: -73.943118
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -8.617
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: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -238.471611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.471611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.471611 (E_RNA)
where:
Base-Base interactions energy: -166.303
where: short stacking energy: -62.173
Base-Backbone interact. energy: -0.085
local terms energy: -72.083785
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -209.475262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.475262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.475262 (E_RNA)
where:
Base-Base interactions energy: -140.225
where: short stacking energy: -74.762
Base-Backbone interact. energy: -0.002
local terms energy: -69.247830
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -18.557
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: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -262.317886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.317886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.317886 (E_RNA)
where:
Base-Base interactions energy: -190.700
where: short stacking energy: -88.726
Base-Backbone interact. energy: -0.303
local terms energy: -71.315371
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -21.336
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: 224
Temperature: 1.350000
Total energy: -193.116833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.116833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.116833 (E_RNA)
where:
Base-Base interactions energy: -128.855
where: short stacking energy: -68.169
Base-Backbone interact. energy: -0.251
local terms energy: -64.010496
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -306.545038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.545038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.545038 (E_RNA)
where:
Base-Base interactions energy: -216.337
where: short stacking energy: -98.536
Base-Backbone interact. energy: -0.501
local terms energy: -89.706473
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -26.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -311.346957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.346957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.346957 (E_RNA)
where:
Base-Base interactions energy: -225.624
where: short stacking energy: -96.639
Base-Backbone interact. energy: 0.024
local terms energy: -85.747040
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -297.892463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.892463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.892463 (E_RNA)
where:
Base-Base interactions energy: -213.539
where: short stacking energy: -90.429
Base-Backbone interact. energy: -0.001
local terms energy: -84.352521
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -22.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -275.239615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.239615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.239615 (E_RNA)
where:
Base-Base interactions energy: -203.082
where: short stacking energy: -90.071
Base-Backbone interact. energy: -0.098
local terms energy: -72.059549
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -10.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -258.025938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.025938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.025938 (E_RNA)
where:
Base-Base interactions energy: -175.490
where: short stacking energy: -83.985
Base-Backbone interact. energy: 0.539
local terms energy: -83.074791
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -12.289
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: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -256.039527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.039527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.039527 (E_RNA)
where:
Base-Base interactions energy: -181.672
where: short stacking energy: -86.576
Base-Backbone interact. energy: -0.165
local terms energy: -74.202521
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -234.351563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.351563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.351563 (E_RNA)
where:
Base-Base interactions energy: -158.474
where: short stacking energy: -72.763
Base-Backbone interact. energy: 0.006
local terms energy: -75.883459
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -9.805
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: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -257.499518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.499518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.499518 (E_RNA)
where:
Base-Base interactions energy: -178.739
where: short stacking energy: -86.508
Base-Backbone interact. energy: -0.000
local terms energy: -78.760250
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -199.159950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.159950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.159950 (E_RNA)
where:
Base-Base interactions energy: -135.312
where: short stacking energy: -69.179
Base-Backbone interact. energy: -0.102
local terms energy: -63.746733
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -189.753580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.753580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.753580 (E_RNA)
where:
Base-Base interactions energy: -128.866
where: short stacking energy: -71.607
Base-Backbone interact. energy: -0.106
local terms energy: -60.781921
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -13.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -313.292210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.292210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.292210 (E_RNA)
where:
Base-Base interactions energy: -221.570
where: short stacking energy: -105.726
Base-Backbone interact. energy: -0.002
local terms energy: -91.720655
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -23.880
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: 226
Temperature: 0.950000
Total energy: -313.770963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.770963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.770963 (E_RNA)
where:
Base-Base interactions energy: -219.529
where: short stacking energy: -106.738
Base-Backbone interact. energy: -0.000
local terms energy: -94.241238
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -23.834
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: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -302.889006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.889006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.889006 (E_RNA)
where:
Base-Base interactions energy: -212.500
where: short stacking energy: -92.746
Base-Backbone interact. energy: 0.340
local terms energy: -90.729040
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -272.603834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.603834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.603834 (E_RNA)
where:
Base-Base interactions energy: -210.271
where: short stacking energy: -84.454
Base-Backbone interact. energy: -1.110
local terms energy: -61.223181
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -9.731
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: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -272.097409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.097409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.097409 (E_RNA)
where:
Base-Base interactions energy: -189.569
where: short stacking energy: -80.153
Base-Backbone interact. energy: -0.074
local terms energy: -82.454431
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -14.968
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: 226
Temperature: 1.150000
Total energy: -246.274314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.274314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.274314 (E_RNA)
where:
Base-Base interactions energy: -174.589
where: short stacking energy: -80.814
Base-Backbone interact. energy: -0.574
local terms energy: -71.111221
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -261.123861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.123861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.123861 (E_RNA)
where:
Base-Base interactions energy: -189.255
where: short stacking energy: -92.607
Base-Backbone interact. energy: -0.033
local terms energy: -71.835688
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -21.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -221.749950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.749950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.749950 (E_RNA)
where:
Base-Base interactions energy: -153.520
where: short stacking energy: -72.207
Base-Backbone interact. energy: 0.251
local terms energy: -68.481594
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -9.269
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -19.036
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: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -215.034888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.034888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.034888 (E_RNA)
where:
Base-Base interactions energy: -135.434
where: short stacking energy: -80.874
Base-Backbone interact. energy: -0.018
local terms energy: -79.582124
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -10.671
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -24.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -203.349767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.349767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.349767 (E_RNA)
where:
Base-Base interactions energy: -133.962
where: short stacking energy: -70.806
Base-Backbone interact. energy: -0.008
local terms energy: -69.380493
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -18.289
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: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -319.606071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.606071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.606071 (E_RNA)
where:
Base-Base interactions energy: -235.138
where: short stacking energy: -109.068
Base-Backbone interact. energy: -0.017
local terms energy: -84.451331
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -25.507
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: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -313.006621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.006621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.006621 (E_RNA)
where:
Base-Base interactions energy: -228.427
where: short stacking energy: -101.013
Base-Backbone interact. energy: -0.041
local terms energy: -84.538414
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -24.837
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: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -310.563239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.563239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.563239 (E_RNA)
where:
Base-Base interactions energy: -225.096
where: short stacking energy: -95.110
Base-Backbone interact. energy: -0.009
local terms energy: -85.458365
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -23.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -275.311051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.311051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.311051 (E_RNA)
where:
Base-Base interactions energy: -197.951
where: short stacking energy: -85.690
Base-Backbone interact. energy: -0.227
local terms energy: -77.133268
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -276.345300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.345300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.345300 (E_RNA)
where:
Base-Base interactions energy: -201.876
where: short stacking energy: -84.709
Base-Backbone interact. energy: -0.160
local terms energy: -74.309188
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -239.248390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.248390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.248390 (E_RNA)
where:
Base-Base interactions energy: -159.230
where: short stacking energy: -62.115
Base-Backbone interact. energy: -0.724
local terms energy: -79.295079
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -13.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -254.704075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.704075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.704075 (E_RNA)
where:
Base-Base interactions energy: -180.086
where: short stacking energy: -81.659
Base-Backbone interact. energy: -0.089
local terms energy: -74.529823
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -22.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -219.524845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.524845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.524845 (E_RNA)
where:
Base-Base interactions energy: -161.280
where: short stacking energy: -60.285
Base-Backbone interact. energy: -0.509
local terms energy: -57.735481
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -0.459
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -210.075429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.075429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.075429 (E_RNA)
where:
Base-Base interactions energy: -138.079
where: short stacking energy: -77.154
Base-Backbone interact. energy: -0.216
local terms energy: -71.780307
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -17.967
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: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -196.374306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.374306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.374306 (E_RNA)
where:
Base-Base interactions energy: -130.204
where: short stacking energy: -53.711
Base-Backbone interact. energy: 0.842
local terms energy: -67.011916
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -8.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -325.371382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.371382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.371382 (E_RNA)
where:
Base-Base interactions energy: -238.312
where: short stacking energy: -104.407
Base-Backbone interact. energy: -0.320
local terms energy: -86.739553
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -25.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -313.440482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.440482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.440482 (E_RNA)
where:
Base-Base interactions energy: -229.971
where: short stacking energy: -107.322
Base-Backbone interact. energy: -0.004
local terms energy: -83.465267
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -26.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -306.131277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.131277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.131277 (E_RNA)
where:
Base-Base interactions energy: -223.114
where: short stacking energy: -102.164
Base-Backbone interact. energy: -0.088
local terms energy: -82.929144
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -273.087584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.087584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.087584 (E_RNA)
where:
Base-Base interactions energy: -194.196
where: short stacking energy: -83.560
Base-Backbone interact. energy: -0.225
local terms energy: -78.666242
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -17.924
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: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -266.690757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.690757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.690757 (E_RNA)
where:
Base-Base interactions energy: -195.286
where: short stacking energy: -88.541
Base-Backbone interact. energy: -0.245
local terms energy: -71.159742
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -253.920563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.920563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.920563 (E_RNA)
where:
Base-Base interactions energy: -184.014
where: short stacking energy: -79.527
Base-Backbone interact. energy: 0.065
local terms energy: -69.970991
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -255.677454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.677454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.677454 (E_RNA)
where:
Base-Base interactions energy: -184.333
where: short stacking energy: -75.801
Base-Backbone interact. energy: -0.045
local terms energy: -71.300135
where:
bonds (distance) C4'-P energy: -7.974
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -220.325750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.325750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.325750 (E_RNA)
where:
Base-Base interactions energy: -152.362
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.289
local terms energy: -67.674295
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -183.106895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.106895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.106895 (E_RNA)
where:
Base-Base interactions energy: -121.202
where: short stacking energy: -74.616
Base-Backbone interact. energy: -0.170
local terms energy: -61.734500
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -7.985
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -8.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -181.067832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.067832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.067832 (E_RNA)
where:
Base-Base interactions energy: -116.292
where: short stacking energy: -55.107
Base-Backbone interact. energy: -0.775
local terms energy: -64.000334
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -318.640338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.640338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.640338 (E_RNA)
where:
Base-Base interactions energy: -219.679
where: short stacking energy: -99.423
Base-Backbone interact. energy: -0.043
local terms energy: -98.918457
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -27.611
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: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -309.252630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.252630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.252630 (E_RNA)
where:
Base-Base interactions energy: -212.582
where: short stacking energy: -100.139
Base-Backbone interact. energy: -0.008
local terms energy: -96.663265
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -26.390
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: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -307.086771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.086771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.086771 (E_RNA)
where:
Base-Base interactions energy: -224.706
where: short stacking energy: -98.122
Base-Backbone interact. energy: -0.048
local terms energy: -82.332209
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -25.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -267.069038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.069038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.069038 (E_RNA)
where:
Base-Base interactions energy: -185.131
where: short stacking energy: -78.428
Base-Backbone interact. energy: 0.029
local terms energy: -81.966761
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -271.694502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.694502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.694502 (E_RNA)
where:
Base-Base interactions energy: -196.719
where: short stacking energy: -88.333
Base-Backbone interact. energy: -0.780
local terms energy: -74.195072
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -11.853
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: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -281.603704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.603704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.603704 (E_RNA)
where:
Base-Base interactions energy: -198.117
where: short stacking energy: -96.864
Base-Backbone interact. energy: -0.051
local terms energy: -83.435407
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -23.234
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: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -257.091547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.091547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.091547 (E_RNA)
where:
Base-Base interactions energy: -180.907
where: short stacking energy: -84.835
Base-Backbone interact. energy: -0.001
local terms energy: -76.183520
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -230.578249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.578249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.578249 (E_RNA)
where:
Base-Base interactions energy: -168.173
where: short stacking energy: -71.127
Base-Backbone interact. energy: 0.046
local terms energy: -62.451777
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -13.650
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: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -184.886932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.886932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.886932 (E_RNA)
where:
Base-Base interactions energy: -123.985
where: short stacking energy: -54.893
Base-Backbone interact. energy: -0.855
local terms energy: -60.046898
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -7.728
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: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -185.684665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.684665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.684665 (E_RNA)
where:
Base-Base interactions energy: -117.470
where: short stacking energy: -64.014
Base-Backbone interact. energy: -0.744
local terms energy: -67.470412
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -10.864
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: 1, replica: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -319.478338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.478338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.478338 (E_RNA)
where:
Base-Base interactions energy: -226.808
where: short stacking energy: -97.498
Base-Backbone interact. energy: -0.060
local terms energy: -92.609751
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -27.527
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: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -311.591064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.591064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.591064 (E_RNA)
where:
Base-Base interactions energy: -220.145
where: short stacking energy: -97.700
Base-Backbone interact. energy: -0.043
local terms energy: -91.402963
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -23.685
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: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -280.932382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.932382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.932382 (E_RNA)
where:
Base-Base interactions energy: -198.898
where: short stacking energy: -85.206
Base-Backbone interact. energy: -0.100
local terms energy: -81.934743
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -18.135
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: 230
Temperature: 1.050000
Total energy: -304.968779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.968779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.968779 (E_RNA)
where:
Base-Base interactions energy: -220.565
where: short stacking energy: -91.075
Base-Backbone interact. energy: -0.452
local terms energy: -83.951378
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -22.398
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: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -281.181896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.181896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.181896 (E_RNA)
where:
Base-Base interactions energy: -195.623
where: short stacking energy: -84.664
Base-Backbone interact. energy: -0.000
local terms energy: -85.558526
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -260.320529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.320529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.320529 (E_RNA)
where:
Base-Base interactions energy: -194.545
where: short stacking energy: -91.924
Base-Backbone interact. energy: -0.006
local terms energy: -65.769692
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -16.244
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: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -237.416828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.416828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.416828 (E_RNA)
where:
Base-Base interactions energy: -167.790
where: short stacking energy: -70.653
Base-Backbone interact. energy: -0.024
local terms energy: -69.602839
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -12.404
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: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -236.638533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.638533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.638533 (E_RNA)
where:
Base-Base interactions energy: -170.750
where: short stacking energy: -68.656
Base-Backbone interact. energy: 0.447
local terms energy: -66.335235
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -212.084898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.084898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.084898 (E_RNA)
where:
Base-Base interactions energy: -135.665
where: short stacking energy: -73.786
Base-Backbone interact. energy: -0.001
local terms energy: -76.419762
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -181.341759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.341759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.341759 (E_RNA)
where:
Base-Base interactions energy: -117.172
where: short stacking energy: -58.377
Base-Backbone interact. energy: -1.437
local terms energy: -62.732922
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -315.634673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.634673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.634673 (E_RNA)
where:
Base-Base interactions energy: -229.132
where: short stacking energy: -95.430
Base-Backbone interact. energy: -0.022
local terms energy: -86.480503
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -23.235
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: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -311.963254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.963254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.963254 (E_RNA)
where:
Base-Base interactions energy: -227.958
where: short stacking energy: -105.282
Base-Backbone interact. energy: -0.044
local terms energy: -83.961815
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -21.783
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: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -282.886903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.886903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.886903 (E_RNA)
where:
Base-Base interactions energy: -202.685
where: short stacking energy: -84.725
Base-Backbone interact. energy: -0.512
local terms energy: -79.690090
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -299.099056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.099056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.099056 (E_RNA)
where:
Base-Base interactions energy: -217.253
where: short stacking energy: -94.260
Base-Backbone interact. energy: -0.471
local terms energy: -81.374909
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -21.589
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: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -298.740363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.740363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.740363 (E_RNA)
where:
Base-Base interactions energy: -213.985
where: short stacking energy: -95.777
Base-Backbone interact. energy: -0.092
local terms energy: -84.663416
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -25.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -274.821905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.821905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.821905 (E_RNA)
where:
Base-Base interactions energy: -194.685
where: short stacking energy: -83.781
Base-Backbone interact. energy: -1.246
local terms energy: -78.890855
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -247.402995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.402995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.402995 (E_RNA)
where:
Base-Base interactions energy: -173.788
where: short stacking energy: -80.160
Base-Backbone interact. energy: -0.117
local terms energy: -73.498154
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -205.935174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.935174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.935174 (E_RNA)
where:
Base-Base interactions energy: -136.368
where: short stacking energy: -57.780
Base-Backbone interact. energy: -0.427
local terms energy: -69.140338
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -235.364123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.364123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.364123 (E_RNA)
where:
Base-Base interactions energy: -163.022
where: short stacking energy: -63.220
Base-Backbone interact. energy: -0.083
local terms energy: -72.259196
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -186.881884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.881884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.881884 (E_RNA)
where:
Base-Base interactions energy: -126.945
where: short stacking energy: -57.153
Base-Backbone interact. energy: -1.203
local terms energy: -58.733538
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -2.610
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -313.943155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.943155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.943155 (E_RNA)
where:
Base-Base interactions energy: -223.424
where: short stacking energy: -106.569
Base-Backbone interact. energy: 0.764
local terms energy: -91.283946
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -21.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -308.831872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.831872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.831872 (E_RNA)
where:
Base-Base interactions energy: -226.822
where: short stacking energy: -105.752
Base-Backbone interact. energy: -0.056
local terms energy: -81.954187
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -23.714
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: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -308.217198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.217198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.217198 (E_RNA)
where:
Base-Base interactions energy: -218.608
where: short stacking energy: -99.243
Base-Backbone interact. energy: 0.775
local terms energy: -90.384887
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -24.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -277.663886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.663886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.663886 (E_RNA)
where:
Base-Base interactions energy: -206.944
where: short stacking energy: -88.519
Base-Backbone interact. energy: -0.188
local terms energy: -70.531771
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -278.172447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.172447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.172447 (E_RNA)
where:
Base-Base interactions energy: -196.978
where: short stacking energy: -81.239
Base-Backbone interact. energy: 0.124
local terms energy: -81.317861
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -282.537808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.537808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.537808 (E_RNA)
where:
Base-Base interactions energy: -205.724
where: short stacking energy: -96.867
Base-Backbone interact. energy: -0.217
local terms energy: -76.597540
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -22.399
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: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -249.006434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.006434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.006434 (E_RNA)
where:
Base-Base interactions energy: -184.011
where: short stacking energy: -68.530
Base-Backbone interact. energy: -0.082
local terms energy: -64.913819
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -3.360
tors. eta vs tors. theta energy: -16.684
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: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -220.657005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.657005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.657005 (E_RNA)
where:
Base-Base interactions energy: -146.742
where: short stacking energy: -73.068
Base-Backbone interact. energy: 0.159
local terms energy: -74.074455
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -225.881572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.881572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.881572 (E_RNA)
where:
Base-Base interactions energy: -163.122
where: short stacking energy: -75.811
Base-Backbone interact. energy: 0.064
local terms energy: -62.822959
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -12.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -196.730465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.730465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.730465 (E_RNA)
where:
Base-Base interactions energy: -127.177
where: short stacking energy: -55.823
Base-Backbone interact. energy: -0.074
local terms energy: -69.480017
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -313.433769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.433769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.433769 (E_RNA)
where:
Base-Base interactions energy: -220.977
where: short stacking energy: -97.020
Base-Backbone interact. energy: -0.001
local terms energy: -92.454990
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -23.420
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: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -312.429476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.429476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.429476 (E_RNA)
where:
Base-Base interactions energy: -224.913
where: short stacking energy: -99.294
Base-Backbone interact. energy: -0.217
local terms energy: -87.299175
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -305.017742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.017742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.017742 (E_RNA)
where:
Base-Base interactions energy: -224.765
where: short stacking energy: -100.294
Base-Backbone interact. energy: -0.004
local terms energy: -80.249261
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -25.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -274.997769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.997769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.997769 (E_RNA)
where:
Base-Base interactions energy: -197.022
where: short stacking energy: -80.243
Base-Backbone interact. energy: -0.531
local terms energy: -77.444846
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -263.121863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.121863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.121863 (E_RNA)
where:
Base-Base interactions energy: -190.833
where: short stacking energy: -80.587
Base-Backbone interact. energy: -0.012
local terms energy: -72.276973
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -246.972256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.972256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.972256 (E_RNA)
where:
Base-Base interactions energy: -177.301
where: short stacking energy: -80.352
Base-Backbone interact. energy: 0.381
local terms energy: -70.052593
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -18.974
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: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -279.162526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.162526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.162526 (E_RNA)
where:
Base-Base interactions energy: -202.731
where: short stacking energy: -97.052
Base-Backbone interact. energy: -0.122
local terms energy: -76.308856
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -24.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -242.201410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.201410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.201410 (E_RNA)
where:
Base-Base interactions energy: -171.042
where: short stacking energy: -74.369
Base-Backbone interact. energy: -0.249
local terms energy: -70.910509
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -17.079
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: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -206.077892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.077892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.077892 (E_RNA)
where:
Base-Base interactions energy: -146.713
where: short stacking energy: -71.436
Base-Backbone interact. energy: -0.093
local terms energy: -59.272146
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -9.310
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: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -174.902970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.902970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.902970 (E_RNA)
where:
Base-Base interactions energy: -118.169
where: short stacking energy: -59.340
Base-Backbone interact. energy: -0.225
local terms energy: -56.508930
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -10.167
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: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -333.656380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.656380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.656380 (E_RNA)
where:
Base-Base interactions energy: -246.547
where: short stacking energy: -107.907
Base-Backbone interact. energy: -0.082
local terms energy: -87.027357
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -27.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -302.616541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.616541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.616541 (E_RNA)
where:
Base-Base interactions energy: -214.369
where: short stacking energy: -94.647
Base-Backbone interact. energy: -0.319
local terms energy: -87.928912
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -307.552715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.552715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.552715 (E_RNA)
where:
Base-Base interactions energy: -219.381
where: short stacking energy: -100.783
Base-Backbone interact. energy: -0.022
local terms energy: -88.148784
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -267.722752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.722752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.722752 (E_RNA)
where:
Base-Base interactions energy: -184.953
where: short stacking energy: -75.375
Base-Backbone interact. energy: -0.477
local terms energy: -82.292832
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -12.501
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: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -256.367428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.367428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.367428 (E_RNA)
where:
Base-Base interactions energy: -179.219
where: short stacking energy: -77.243
Base-Backbone interact. energy: -0.667
local terms energy: -76.481310
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -244.820182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.820182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.820182 (E_RNA)
where:
Base-Base interactions energy: -169.922
where: short stacking energy: -74.395
Base-Backbone interact. energy: -0.057
local terms energy: -74.841113
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -293.638791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.638791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.638791 (E_RNA)
where:
Base-Base interactions energy: -213.463
where: short stacking energy: -93.099
Base-Backbone interact. energy: -0.043
local terms energy: -80.132481
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -239.509473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.509473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.509473 (E_RNA)
where:
Base-Base interactions energy: -166.102
where: short stacking energy: -80.447
Base-Backbone interact. energy: -0.021
local terms energy: -73.387006
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -187.585574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.585574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.585574 (E_RNA)
where:
Base-Base interactions energy: -123.041
where: short stacking energy: -65.230
Base-Backbone interact. energy: -0.354
local terms energy: -64.190587
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -188.645508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.645508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.645508 (E_RNA)
where:
Base-Base interactions energy: -122.126
where: short stacking energy: -63.579
Base-Backbone interact. energy: -0.042
local terms energy: -66.477038
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -326.798958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.798958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.798958 (E_RNA)
where:
Base-Base interactions energy: -238.523
where: short stacking energy: -104.823
Base-Backbone interact. energy: -0.011
local terms energy: -88.264630
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -27.632
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: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -310.301401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.301401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.301401 (E_RNA)
where:
Base-Base interactions energy: -225.028
where: short stacking energy: -100.119
Base-Backbone interact. energy: 0.880
local terms energy: -86.153103
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -25.907
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: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -304.797574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.797574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.797574 (E_RNA)
where:
Base-Base interactions energy: -219.863
where: short stacking energy: -92.668
Base-Backbone interact. energy: 1.453
local terms energy: -86.387547
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -257.865876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.865876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.865876 (E_RNA)
where:
Base-Base interactions energy: -185.274
where: short stacking energy: -74.202
Base-Backbone interact. energy: 0.166
local terms energy: -72.757618
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -253.843985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.843985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.843985 (E_RNA)
where:
Base-Base interactions energy: -182.543
where: short stacking energy: -62.947
Base-Backbone interact. energy: -0.547
local terms energy: -70.753896
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -12.172
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: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -294.894139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.894139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.894139 (E_RNA)
where:
Base-Base interactions energy: -211.556
where: short stacking energy: -90.187
Base-Backbone interact. energy: -0.001
local terms energy: -83.336752
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -9.338
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -25.679
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: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -228.460756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.460756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.460756 (E_RNA)
where:
Base-Base interactions energy: -161.118
where: short stacking energy: -71.937
Base-Backbone interact. energy: 0.643
local terms energy: -67.985720
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -229.449010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.449010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.449010 (E_RNA)
where:
Base-Base interactions energy: -162.026
where: short stacking energy: -79.960
Base-Backbone interact. energy: 0.959
local terms energy: -68.381686
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -189.744120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.744120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.744120 (E_RNA)
where:
Base-Base interactions energy: -129.947
where: short stacking energy: -67.674
Base-Backbone interact. energy: -0.014
local terms energy: -59.782811
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -7.435
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: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -193.459581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.459581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.459581 (E_RNA)
where:
Base-Base interactions energy: -123.686
where: short stacking energy: -59.864
Base-Backbone interact. energy: -0.016
local terms energy: -69.757667
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -319.181613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.181613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.181613 (E_RNA)
where:
Base-Base interactions energy: -232.873
where: short stacking energy: -97.781
Base-Backbone interact. energy: -0.013
local terms energy: -86.296271
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -25.234
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: 236
Temperature: 0.950000
Total energy: -323.116259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.116259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.116259 (E_RNA)
where:
Base-Base interactions energy: -237.713
where: short stacking energy: -105.604
Base-Backbone interact. energy: -0.281
local terms energy: -85.122307
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -19.597
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: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -306.143664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.143664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.143664 (E_RNA)
where:
Base-Base interactions energy: -215.487
where: short stacking energy: -87.803
Base-Backbone interact. energy: -0.445
local terms energy: -90.211475
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -23.064
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: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -262.046350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.046350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.046350 (E_RNA)
where:
Base-Base interactions energy: -186.381
where: short stacking energy: -70.543
Base-Backbone interact. energy: 0.529
local terms energy: -76.193837
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -299.853617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.853617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.853617 (E_RNA)
where:
Base-Base interactions energy: -218.737
where: short stacking energy: -92.341
Base-Backbone interact. energy: -0.347
local terms energy: -80.769652
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -21.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -263.029793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.029793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.029793 (E_RNA)
where:
Base-Base interactions energy: -196.332
where: short stacking energy: -75.152
Base-Backbone interact. energy: -0.239
local terms energy: -66.458397
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -241.562488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.562488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.562488 (E_RNA)
where:
Base-Base interactions energy: -173.219
where: short stacking energy: -78.878
Base-Backbone interact. energy: -0.001
local terms energy: -68.341794
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -228.914205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.914205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.914205 (E_RNA)
where:
Base-Base interactions energy: -162.846
where: short stacking energy: -74.344
Base-Backbone interact. energy: -0.056
local terms energy: -66.011401
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -199.456799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.456799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.456799 (E_RNA)
where:
Base-Base interactions energy: -134.741
where: short stacking energy: -67.817
Base-Backbone interact. energy: -0.197
local terms energy: -64.518353
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -8.394
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: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -189.986172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.986172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.986172 (E_RNA)
where:
Base-Base interactions energy: -128.278
where: short stacking energy: -56.620
Base-Backbone interact. energy: 0.168
local terms energy: -61.876399
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -310.515066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.515066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.515066 (E_RNA)
where:
Base-Base interactions energy: -223.172
where: short stacking energy: -104.968
Base-Backbone interact. energy: -0.003
local terms energy: -87.340338
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -25.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -308.508658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.508658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.508658 (E_RNA)
where:
Base-Base interactions energy: -224.255
where: short stacking energy: -103.303
Base-Backbone interact. energy: -0.003
local terms energy: -84.250256
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -25.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -320.340083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.340083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.340083 (E_RNA)
where:
Base-Base interactions energy: -231.171
where: short stacking energy: -102.673
Base-Backbone interact. energy: -0.047
local terms energy: -89.121773
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -23.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -300.995994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.995994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.995994 (E_RNA)
where:
Base-Base interactions energy: -213.438
where: short stacking energy: -91.816
Base-Backbone interact. energy: -0.055
local terms energy: -87.502460
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -23.963
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: 237
Temperature: 1.100000
Total energy: -265.970267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.970267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.970267 (E_RNA)
where:
Base-Base interactions energy: -191.003
where: short stacking energy: -76.551
Base-Backbone interact. energy: -1.346
local terms energy: -73.620941
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -12.148
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: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -267.164034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.164034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.164034 (E_RNA)
where:
Base-Base interactions energy: -189.593
where: short stacking energy: -83.561
Base-Backbone interact. energy: 1.212
local terms energy: -78.782611
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -243.057204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.057204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.057204 (E_RNA)
where:
Base-Base interactions energy: -170.657
where: short stacking energy: -68.346
Base-Backbone interact. energy: -0.053
local terms energy: -72.346992
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -199.776262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.776262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.776262 (E_RNA)
where:
Base-Base interactions energy: -130.382
where: short stacking energy: -65.535
Base-Backbone interact. energy: -0.792
local terms energy: -68.601653
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -13.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -226.466746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.466746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.466746 (E_RNA)
where:
Base-Base interactions energy: -160.747
where: short stacking energy: -65.306
Base-Backbone interact. energy: 0.150
local terms energy: -65.869445
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -2.157
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -190.064284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.064284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.064284 (E_RNA)
where:
Base-Base interactions energy: -125.013
where: short stacking energy: -46.794
Base-Backbone interact. energy: -0.115
local terms energy: -64.935850
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -315.219050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.219050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.219050 (E_RNA)
where:
Base-Base interactions energy: -221.421
where: short stacking energy: -99.653
Base-Backbone interact. energy: -0.008
local terms energy: -93.790931
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -25.365
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: 2, replica: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -304.109840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.109840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.109840 (E_RNA)
where:
Base-Base interactions energy: -215.488
where: short stacking energy: -97.387
Base-Backbone interact. energy: -0.094
local terms energy: -88.527845
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -24.986
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: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -308.253009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.253009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.253009 (E_RNA)
where:
Base-Base interactions energy: -230.001
where: short stacking energy: -100.640
Base-Backbone interact. energy: -0.107
local terms energy: -78.145703
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -300.803730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.803730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.803730 (E_RNA)
where:
Base-Base interactions energy: -219.827
where: short stacking energy: -100.039
Base-Backbone interact. energy: -0.399
local terms energy: -80.577609
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -23.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -265.103452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.103452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.103452 (E_RNA)
where:
Base-Base interactions energy: -191.986
where: short stacking energy: -78.723
Base-Backbone interact. energy: -0.995
local terms energy: -72.122360
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -261.996149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.996149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.996149 (E_RNA)
where:
Base-Base interactions energy: -189.856
where: short stacking energy: -78.115
Base-Backbone interact. energy: -0.024
local terms energy: -72.115968
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -225.846478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.846478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.846478 (E_RNA)
where:
Base-Base interactions energy: -148.661
where: short stacking energy: -73.996
Base-Backbone interact. energy: -0.010
local terms energy: -77.175733
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -15.738
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: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -213.058292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.058292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.058292 (E_RNA)
where:
Base-Base interactions energy: -138.780
where: short stacking energy: -74.153
Base-Backbone interact. energy: -0.243
local terms energy: -74.035739
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -15.250
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: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -235.674689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.674689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.674689 (E_RNA)
where:
Base-Base interactions energy: -177.056
where: short stacking energy: -75.354
Base-Backbone interact. energy: 3.031
local terms energy: -61.650215
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -175.989361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.989361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.989361 (E_RNA)
where:
Base-Base interactions energy: -124.223
where: short stacking energy: -59.229
Base-Backbone interact. energy: -0.125
local terms energy: -51.642299
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -8.215
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -8.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -307.657528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.657528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.657528 (E_RNA)
where:
Base-Base interactions energy: -218.618
where: short stacking energy: -91.405
Base-Backbone interact. energy: -0.247
local terms energy: -88.792397
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -26.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -319.161599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.161599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.161599 (E_RNA)
where:
Base-Base interactions energy: -238.626
where: short stacking energy: -104.184
Base-Backbone interact. energy: -0.168
local terms energy: -80.366980
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -25.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -305.510719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.510719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.510719 (E_RNA)
where:
Base-Base interactions energy: -217.017
where: short stacking energy: -99.512
Base-Backbone interact. energy: -0.240
local terms energy: -88.254163
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -22.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -286.551573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.551573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.551573 (E_RNA)
where:
Base-Base interactions energy: -207.042
where: short stacking energy: -91.008
Base-Backbone interact. energy: -0.102
local terms energy: -79.407465
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -282.744052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.744052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.744052 (E_RNA)
where:
Base-Base interactions energy: -203.182
where: short stacking energy: -80.442
Base-Backbone interact. energy: -0.598
local terms energy: -78.963873
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -18.554
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: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -277.267690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.267690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.267690 (E_RNA)
where:
Base-Base interactions energy: -205.393
where: short stacking energy: -94.254
Base-Backbone interact. energy: -0.056
local terms energy: -71.818468
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -224.860832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.860832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.860832 (E_RNA)
where:
Base-Base interactions energy: -153.544
where: short stacking energy: -58.700
Base-Backbone interact. energy: 0.724
local terms energy: -72.041218
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -8.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -240.183434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.183434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.183434 (E_RNA)
where:
Base-Base interactions energy: -172.260
where: short stacking energy: -62.439
Base-Backbone interact. energy: 2.225
local terms energy: -70.148251
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -203.787684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.787684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.787684 (E_RNA)
where:
Base-Base interactions energy: -140.242
where: short stacking energy: -63.868
Base-Backbone interact. energy: -0.921
local terms energy: -62.625114
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -11.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -198.080742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.080742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.080742 (E_RNA)
where:
Base-Base interactions energy: -123.315
where: short stacking energy: -66.633
Base-Backbone interact. energy: -0.389
local terms energy: -74.377251
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -17.639
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: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -310.635943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.635943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.635943 (E_RNA)
where:
Base-Base interactions energy: -221.304
where: short stacking energy: -98.676
Base-Backbone interact. energy: -0.051
local terms energy: -89.280273
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -23.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -318.043987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.043987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.043987 (E_RNA)
where:
Base-Base interactions energy: -230.173
where: short stacking energy: -92.335
Base-Backbone interact. energy: -0.457
local terms energy: -87.414051
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -26.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -306.741436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.741436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.741436 (E_RNA)
where:
Base-Base interactions energy: -221.565
where: short stacking energy: -86.809
Base-Backbone interact. energy: -0.068
local terms energy: -85.108715
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -23.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -299.706367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.706367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.706367 (E_RNA)
where:
Base-Base interactions energy: -209.509
where: short stacking energy: -99.830
Base-Backbone interact. energy: 0.046
local terms energy: -90.243584
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -23.804
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: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -261.341520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.341520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.341520 (E_RNA)
where:
Base-Base interactions energy: -182.678
where: short stacking energy: -83.035
Base-Backbone interact. energy: -0.798
local terms energy: -77.865370
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -251.151919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.151919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.151919 (E_RNA)
where:
Base-Base interactions energy: -178.518
where: short stacking energy: -77.239
Base-Backbone interact. energy: -0.928
local terms energy: -71.706837
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -249.377551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.377551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.377551 (E_RNA)
where:
Base-Base interactions energy: -184.366
where: short stacking energy: -68.633
Base-Backbone interact. energy: 1.077
local terms energy: -66.088662
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -13.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -230.905449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.905449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.905449 (E_RNA)
where:
Base-Base interactions energy: -162.887
where: short stacking energy: -72.887
Base-Backbone interact. energy: -0.100
local terms energy: -67.918038
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -15.488
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: 2
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -176.391924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.391924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.391924 (E_RNA)
where:
Base-Base interactions energy: -125.025
where: short stacking energy: -50.833
Base-Backbone interact. energy: -1.576
local terms energy: -49.791260
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -7.847
flat angles P-C4'-P energy: 1.649
tors. eta vs tors. theta energy: -9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -199.156970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.156970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.156970 (E_RNA)
where:
Base-Base interactions energy: -142.748
where: short stacking energy: -69.704
Base-Backbone interact. energy: -0.236
local terms energy: -56.173615
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -312.608907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.608907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.608907 (E_RNA)
where:
Base-Base interactions energy: -226.121
where: short stacking energy: -101.090
Base-Backbone interact. energy: -0.002
local terms energy: -86.486226
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -24.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -310.629658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.629658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.629658 (E_RNA)
where:
Base-Base interactions energy: -224.728
where: short stacking energy: -99.614
Base-Backbone interact. energy: -0.004
local terms energy: -85.897246
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -24.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -301.585110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.585110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.585110 (E_RNA)
where:
Base-Base interactions energy: -219.190
where: short stacking energy: -95.660
Base-Backbone interact. energy: 0.327
local terms energy: -82.721629
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -21.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -303.501202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.501202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.501202 (E_RNA)
where:
Base-Base interactions energy: -215.113
where: short stacking energy: -100.917
Base-Backbone interact. energy: 1.048
local terms energy: -89.435587
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -24.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -265.784502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.784502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.784502 (E_RNA)
where:
Base-Base interactions energy: -185.797
where: short stacking energy: -81.851
Base-Backbone interact. energy: -0.013
local terms energy: -79.974886
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -246.892668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.892668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.892668 (E_RNA)
where:
Base-Base interactions energy: -173.457
where: short stacking energy: -77.711
Base-Backbone interact. energy: -0.162
local terms energy: -73.273308
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -16.341
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: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -234.067843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.067843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.067843 (E_RNA)
where:
Base-Base interactions energy: -164.829
where: short stacking energy: -63.030
Base-Backbone interact. energy: -1.183
local terms energy: -68.055616
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -196.900393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.900393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.900393 (E_RNA)
where:
Base-Base interactions energy: -128.567
where: short stacking energy: -52.246
Base-Backbone interact. energy: -0.182
local terms energy: -68.152008
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -232.834743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.834743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.834743 (E_RNA)
where:
Base-Base interactions energy: -159.133
where: short stacking energy: -69.577
Base-Backbone interact. energy: -0.107
local terms energy: -73.595135
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.170
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: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -188.481851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.481851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.481851 (E_RNA)
where:
Base-Base interactions energy: -129.637
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.059
local terms energy: -58.786572
where:
bonds (distance) C4'-P energy: -7.692
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -318.002099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.002099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.002099 (E_RNA)
where:
Base-Base interactions energy: -232.273
where: short stacking energy: -105.604
Base-Backbone interact. energy: -0.001
local terms energy: -85.728296
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -23.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -312.876058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.876058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.876058 (E_RNA)
where:
Base-Base interactions energy: -222.659
where: short stacking energy: -98.555
Base-Backbone interact. energy: -0.588
local terms energy: -89.628873
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -310.892963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.892963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.892963 (E_RNA)
where:
Base-Base interactions energy: -222.243
where: short stacking energy: -95.988
Base-Backbone interact. energy: 0.385
local terms energy: -89.035557
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -26.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -304.703771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.703771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.703771 (E_RNA)
where:
Base-Base interactions energy: -226.272
where: short stacking energy: -84.530
Base-Backbone interact. energy: -0.070
local terms energy: -78.361719
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -253.995385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.995385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.995385 (E_RNA)
where:
Base-Base interactions energy: -181.396
where: short stacking energy: -81.369
Base-Backbone interact. energy: -0.627
local terms energy: -71.972570
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -9.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -246.636643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.636643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.636643 (E_RNA)
where:
Base-Base interactions energy: -175.194
where: short stacking energy: -84.759
Base-Backbone interact. energy: 0.038
local terms energy: -71.480704
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -9.681
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -11.671
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: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -205.168603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.168603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.168603 (E_RNA)
where:
Base-Base interactions energy: -141.884
where: short stacking energy: -59.151
Base-Backbone interact. energy: 1.144
local terms energy: -64.428143
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -227.196474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.196474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.196474 (E_RNA)
where:
Base-Base interactions energy: -163.122
where: short stacking energy: -60.445
Base-Backbone interact. energy: -0.536
local terms energy: -63.538967
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -222.817807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.817807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.817807 (E_RNA)
where:
Base-Base interactions energy: -157.908
where: short stacking energy: -69.247
Base-Backbone interact. energy: -0.555
local terms energy: -64.354542
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -8.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -193.639329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.639329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.639329 (E_RNA)
where:
Base-Base interactions energy: -137.290
where: short stacking energy: -60.313
Base-Backbone interact. energy: -0.103
local terms energy: -56.246040
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -313.198745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.198745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.198745 (E_RNA)
where:
Base-Base interactions energy: -224.735
where: short stacking energy: -104.565
Base-Backbone interact. energy: -0.048
local terms energy: -88.415267
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -24.898
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: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -310.827099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.827099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.827099 (E_RNA)
where:
Base-Base interactions energy: -214.769
where: short stacking energy: -99.970
Base-Backbone interact. energy: -0.008
local terms energy: -96.050187
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -26.746
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: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -314.776455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.776455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.776455 (E_RNA)
where:
Base-Base interactions energy: -222.880
where: short stacking energy: -106.938
Base-Backbone interact. energy: -0.008
local terms energy: -91.888332
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -24.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -300.503789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.503789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.503789 (E_RNA)
where:
Base-Base interactions energy: -218.305
where: short stacking energy: -96.699
Base-Backbone interact. energy: 0.020
local terms energy: -82.218940
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -23.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -267.844882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.844882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.844882 (E_RNA)
where:
Base-Base interactions energy: -191.125
where: short stacking energy: -75.428
Base-Backbone interact. energy: -0.176
local terms energy: -76.544292
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -243.623881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.623881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.623881 (E_RNA)
where:
Base-Base interactions energy: -161.237
where: short stacking energy: -79.129
Base-Backbone interact. energy: -0.002
local terms energy: -82.384762
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -22.345
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: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -206.030319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.030319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.030319 (E_RNA)
where:
Base-Base interactions energy: -142.546
where: short stacking energy: -59.479
Base-Backbone interact. energy: -1.296
local terms energy: -62.187956
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -4.763
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: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -227.281571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.281571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.281571 (E_RNA)
where:
Base-Base interactions energy: -157.871
where: short stacking energy: -79.839
Base-Backbone interact. energy: -0.013
local terms energy: -69.397563
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -14.205
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: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -221.975198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.975198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.975198 (E_RNA)
where:
Base-Base interactions energy: -155.573
where: short stacking energy: -72.535
Base-Backbone interact. energy: -0.122
local terms energy: -66.279916
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -9.936
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: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -194.603148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.603148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.603148 (E_RNA)
where:
Base-Base interactions energy: -135.072
where: short stacking energy: -66.737
Base-Backbone interact. energy: 2.028
local terms energy: -61.559455
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -10.978
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: 6
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -314.727407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.727407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.727407 (E_RNA)
where:
Base-Base interactions energy: -227.318
where: short stacking energy: -102.619
Base-Backbone interact. energy: 0.049
local terms energy: -87.457700
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -314.668295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.668295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.668295 (E_RNA)
where:
Base-Base interactions energy: -221.792
where: short stacking energy: -109.795
Base-Backbone interact. energy: -0.000
local terms energy: -92.875622
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -304.208207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.208207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.208207 (E_RNA)
where:
Base-Base interactions energy: -219.279
where: short stacking energy: -98.921
Base-Backbone interact. energy: -0.489
local terms energy: -84.440053
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -25.688
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: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -308.066200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.066200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.066200 (E_RNA)
where:
Base-Base interactions energy: -219.119
where: short stacking energy: -96.073
Base-Backbone interact. energy: -0.035
local terms energy: -88.912430
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -25.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -263.629530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.629530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.629530 (E_RNA)
where:
Base-Base interactions energy: -188.277
where: short stacking energy: -82.886
Base-Backbone interact. energy: 0.212
local terms energy: -75.564464
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -12.815
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: 244
Temperature: 1.150000
Total energy: -251.890411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.890411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.890411 (E_RNA)
where:
Base-Base interactions energy: -175.491
where: short stacking energy: -74.510
Base-Backbone interact. energy: -0.003
local terms energy: -76.395968
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -238.052885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.052885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.052885 (E_RNA)
where:
Base-Base interactions energy: -165.809
where: short stacking energy: -83.813
Base-Backbone interact. energy: -0.107
local terms energy: -72.137145
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -11.646
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -206.810282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.810282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.810282 (E_RNA)
where:
Base-Base interactions energy: -135.936
where: short stacking energy: -67.975
Base-Backbone interact. energy: 0.274
local terms energy: -71.148490
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -229.959936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.959936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.959936 (E_RNA)
where:
Base-Base interactions energy: -170.345
where: short stacking energy: -65.285
Base-Backbone interact. energy: -0.251
local terms energy: -59.363744
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -12.712
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: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -193.837267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.837267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.837267 (E_RNA)
where:
Base-Base interactions energy: -131.980
where: short stacking energy: -59.629
Base-Backbone interact. energy: -0.337
local terms energy: -61.520324
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -8.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -318.661498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.661498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.661498 (E_RNA)
where:
Base-Base interactions energy: -233.344
where: short stacking energy: -107.274
Base-Backbone interact. energy: -0.049
local terms energy: -85.269406
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -25.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -313.231464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.231464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.231464 (E_RNA)
where:
Base-Base interactions energy: -221.736
where: short stacking energy: -96.098
Base-Backbone interact. energy: -0.011
local terms energy: -91.484376
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -27.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -302.197047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.197047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.197047 (E_RNA)
where:
Base-Base interactions energy: -217.886
where: short stacking energy: -95.084
Base-Backbone interact. energy: 0.039
local terms energy: -84.350091
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -304.463594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.463594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.463594 (E_RNA)
where:
Base-Base interactions energy: -216.276
where: short stacking energy: -96.497
Base-Backbone interact. energy: -0.013
local terms energy: -88.174826
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -26.003
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: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -258.756406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.756406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.756406 (E_RNA)
where:
Base-Base interactions energy: -184.314
where: short stacking energy: -70.878
Base-Backbone interact. energy: -1.240
local terms energy: -73.202317
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -251.992215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.992215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.992215 (E_RNA)
where:
Base-Base interactions energy: -174.299
where: short stacking energy: -80.983
Base-Backbone interact. energy: -0.012
local terms energy: -77.681148
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -225.197637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.197637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.197637 (E_RNA)
where:
Base-Base interactions energy: -154.817
where: short stacking energy: -72.541
Base-Backbone interact. energy: -1.035
local terms energy: -69.345340
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -232.093648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.093648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.093648 (E_RNA)
where:
Base-Base interactions energy: -158.902
where: short stacking energy: -70.491
Base-Backbone interact. energy: 1.847
local terms energy: -75.038538
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -190.903682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.903682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.903682 (E_RNA)
where:
Base-Base interactions energy: -124.102
where: short stacking energy: -54.839
Base-Backbone interact. energy: 1.212
local terms energy: -68.014359
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -184.794358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.794358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.794358 (E_RNA)
where:
Base-Base interactions energy: -122.809
where: short stacking energy: -55.117
Base-Backbone interact. energy: -1.059
local terms energy: -60.927007
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -13.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -318.047400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.047400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.047400 (E_RNA)
where:
Base-Base interactions energy: -231.349
where: short stacking energy: -99.394
Base-Backbone interact. energy: -0.004
local terms energy: -86.694571
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -22.926
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: 6
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -324.158854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.158854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.158854 (E_RNA)
where:
Base-Base interactions energy: -241.319
where: short stacking energy: -111.448
Base-Backbone interact. energy: -0.334
local terms energy: -82.506438
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -25.945
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: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -306.230618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.230618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.230618 (E_RNA)
where:
Base-Base interactions energy: -216.155
where: short stacking energy: -96.020
Base-Backbone interact. energy: -0.754
local terms energy: -89.321871
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -24.604
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: 246
Temperature: 1.050000
Total energy: -309.019696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.019696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.019696 (E_RNA)
where:
Base-Base interactions energy: -218.002
where: short stacking energy: -103.073
Base-Backbone interact. energy: 0.357
local terms energy: -91.374067
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -25.655
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: 9
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -262.289381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.289381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.289381 (E_RNA)
where:
Base-Base interactions energy: -183.529
where: short stacking energy: -81.672
Base-Backbone interact. energy: -0.271
local terms energy: -78.488978
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -15.295
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: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -245.814595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.814595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.814595 (E_RNA)
where:
Base-Base interactions energy: -164.615
where: short stacking energy: -80.316
Base-Backbone interact. energy: -0.046
local terms energy: -81.153306
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -20.508
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: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -245.654894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.654894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.654894 (E_RNA)
where:
Base-Base interactions energy: -175.057
where: short stacking energy: -75.987
Base-Backbone interact. energy: 0.041
local terms energy: -70.638743
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -197.817657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.817657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.817657 (E_RNA)
where:
Base-Base interactions energy: -135.729
where: short stacking energy: -62.191
Base-Backbone interact. energy: -0.655
local terms energy: -61.434079
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -198.691384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.691384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.691384 (E_RNA)
where:
Base-Base interactions energy: -124.395
where: short stacking energy: -67.788
Base-Backbone interact. energy: -0.897
local terms energy: -73.399347
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -12.976
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: 10, replica: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -190.580815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.580815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.580815 (E_RNA)
where:
Base-Base interactions energy: -129.636
where: short stacking energy: -62.083
Base-Backbone interact. energy: -0.508
local terms energy: -60.435992
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -11.361
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -314.835056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.835056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.835056 (E_RNA)
where:
Base-Base interactions energy: -232.838
where: short stacking energy: -103.995
Base-Backbone interact. energy: -0.005
local terms energy: -81.992636
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -306.939468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.939468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.939468 (E_RNA)
where:
Base-Base interactions energy: -227.836
where: short stacking energy: -96.897
Base-Backbone interact. energy: -0.234
local terms energy: -78.869266
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -22.136
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: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -326.720773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.720773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.720773 (E_RNA)
where:
Base-Base interactions energy: -237.070
where: short stacking energy: -105.085
Base-Backbone interact. energy: -0.242
local terms energy: -89.408685
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -24.394
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: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -305.816821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.816821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.816821 (E_RNA)
where:
Base-Base interactions energy: -216.842
where: short stacking energy: -102.799
Base-Backbone interact. energy: -0.009
local terms energy: -88.965596
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -21.199
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -279.104063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.104063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.104063 (E_RNA)
where:
Base-Base interactions energy: -195.750
where: short stacking energy: -85.396
Base-Backbone interact. energy: -0.417
local terms energy: -82.936519
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -15.494
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: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -245.788014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.788014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.788014 (E_RNA)
where:
Base-Base interactions energy: -175.625
where: short stacking energy: -83.643
Base-Backbone interact. energy: 2.480
local terms energy: -72.642997
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -18.957
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: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -235.586358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.586358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.586358 (E_RNA)
where:
Base-Base interactions energy: -171.194
where: short stacking energy: -67.782
Base-Backbone interact. energy: -0.010
local terms energy: -64.382690
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -15.779
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: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -198.078943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.078943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.078943 (E_RNA)
where:
Base-Base interactions energy: -136.637
where: short stacking energy: -63.197
Base-Backbone interact. energy: 0.279
local terms energy: -61.720924
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -195.183744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.183744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.183744 (E_RNA)
where:
Base-Base interactions energy: -130.148
where: short stacking energy: -57.501
Base-Backbone interact. energy: -0.694
local terms energy: -64.341691
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -2.901
tors. eta vs tors. theta energy: -11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -210.599863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.599863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.599863 (E_RNA)
where:
Base-Base interactions energy: -143.663
where: short stacking energy: -76.397
Base-Backbone interact. energy: -0.092
local terms energy: -66.845088
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -8.335
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -319.575359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.575359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.575359 (E_RNA)
where:
Base-Base interactions energy: -228.342
where: short stacking energy: -109.222
Base-Backbone interact. energy: -0.379
local terms energy: -90.854925
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -25.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -312.583297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.583297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.583297 (E_RNA)
where:
Base-Base interactions energy: -226.137
where: short stacking energy: -98.813
Base-Backbone interact. energy: -0.003
local terms energy: -86.443996
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -24.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -311.567715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.567715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.567715 (E_RNA)
where:
Base-Base interactions energy: -220.705
where: short stacking energy: -101.077
Base-Backbone interact. energy: -0.272
local terms energy: -90.590365
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -25.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -309.409349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.409349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.409349 (E_RNA)
where:
Base-Base interactions energy: -226.750
where: short stacking energy: -100.880
Base-Backbone interact. energy: -0.396
local terms energy: -82.262796
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -270.586941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.586941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.586941 (E_RNA)
where:
Base-Base interactions energy: -201.094
where: short stacking energy: -83.040
Base-Backbone interact. energy: 1.250
local terms energy: -70.742342
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -11.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -233.069298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.069298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.069298 (E_RNA)
where:
Base-Base interactions energy: -167.269
where: short stacking energy: -79.163
Base-Backbone interact. energy: 0.501
local terms energy: -66.301293
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -10.699
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -252.673191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.673191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.673191 (E_RNA)
where:
Base-Base interactions energy: -172.413
where: short stacking energy: -72.311
Base-Backbone interact. energy: -0.790
local terms energy: -79.470891
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -14.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -205.138210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.138210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.138210 (E_RNA)
where:
Base-Base interactions energy: -139.855
where: short stacking energy: -74.391
Base-Backbone interact. energy: -0.381
local terms energy: -64.902103
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -8.493
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -204.600724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.600724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.600724 (E_RNA)
where:
Base-Base interactions energy: -132.587
where: short stacking energy: -63.386
Base-Backbone interact. energy: 0.404
local terms energy: -72.416939
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -216.442649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.442649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.442649 (E_RNA)
where:
Base-Base interactions energy: -161.933
where: short stacking energy: -58.378
Base-Backbone interact. energy: 1.697
local terms energy: -56.206653
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -11.735
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: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -316.117983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.117983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.117983 (E_RNA)
where:
Base-Base interactions energy: -226.076
where: short stacking energy: -107.351
Base-Backbone interact. energy: -0.047
local terms energy: -89.994355
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -25.113
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: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -312.209314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.209314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.209314 (E_RNA)
where:
Base-Base interactions energy: -222.866
where: short stacking energy: -102.600
Base-Backbone interact. energy: -0.274
local terms energy: -89.069077
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -23.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -307.832171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.832171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.832171 (E_RNA)
where:
Base-Base interactions energy: -225.915
where: short stacking energy: -90.070
Base-Backbone interact. energy: -0.103
local terms energy: -81.814149
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -23.064
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: 4, replica: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -320.338247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.338247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.338247 (E_RNA)
where:
Base-Base interactions energy: -236.770
where: short stacking energy: -100.626
Base-Backbone interact. energy: -0.190
local terms energy: -83.378435
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -265.621341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.621341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.621341 (E_RNA)
where:
Base-Base interactions energy: -193.909
where: short stacking energy: -88.273
Base-Backbone interact. energy: -0.005
local terms energy: -71.707413
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -243.855383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.855383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.855383 (E_RNA)
where:
Base-Base interactions energy: -174.950
where: short stacking energy: -75.178
Base-Backbone interact. energy: -0.038
local terms energy: -68.867362
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -247.056989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.056989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.056989 (E_RNA)
where:
Base-Base interactions energy: -182.781
where: short stacking energy: -75.837
Base-Backbone interact. energy: -0.017
local terms energy: -64.258399
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -9.438
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -15.031
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: 2
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -211.693465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.693465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.693465 (E_RNA)
where:
Base-Base interactions energy: -144.732
where: short stacking energy: -68.435
Base-Backbone interact. energy: -0.356
local terms energy: -66.605728
where:
bonds (distance) C4'-P energy: -8.363
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -192.339281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.339281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.339281 (E_RNA)
where:
Base-Base interactions energy: -126.865
where: short stacking energy: -57.802
Base-Backbone interact. energy: -1.956
local terms energy: -63.518025
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -10.084
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -12.600
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: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -212.586117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.586117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.586117 (E_RNA)
where:
Base-Base interactions energy: -143.795
where: short stacking energy: -55.431
Base-Backbone interact. energy: -0.437
local terms energy: -68.353837
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -311.844791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.844791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.844791 (E_RNA)
where:
Base-Base interactions energy: -224.665
where: short stacking energy: -107.069
Base-Backbone interact. energy: -0.001
local terms energy: -87.178784
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -25.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -309.075152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.075152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.075152 (E_RNA)
where:
Base-Base interactions energy: -220.451
where: short stacking energy: -92.621
Base-Backbone interact. energy: -0.824
local terms energy: -87.800387
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -23.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -326.821692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.821692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.821692 (E_RNA)
where:
Base-Base interactions energy: -245.088
where: short stacking energy: -100.697
Base-Backbone interact. energy: -0.014
local terms energy: -81.719254
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -25.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -294.744707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.744707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.744707 (E_RNA)
where:
Base-Base interactions energy: -209.247
where: short stacking energy: -99.219
Base-Backbone interact. energy: -0.001
local terms energy: -85.496143
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -23.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -285.426353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.426353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.426353 (E_RNA)
where:
Base-Base interactions energy: -205.797
where: short stacking energy: -92.018
Base-Backbone interact. energy: -0.186
local terms energy: -79.443699
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -14.762
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: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -237.013032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.013032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.013032 (E_RNA)
where:
Base-Base interactions energy: -168.492
where: short stacking energy: -70.922
Base-Backbone interact. energy: 2.618
local terms energy: -71.139101
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -9.696
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: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -246.342109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.342109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.342109 (E_RNA)
where:
Base-Base interactions energy: -177.042
where: short stacking energy: -75.561
Base-Backbone interact. energy: -0.060
local terms energy: -69.240214
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -9.021
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -212.356694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.356694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.356694 (E_RNA)
where:
Base-Base interactions energy: -151.969
where: short stacking energy: -58.347
Base-Backbone interact. energy: 1.236
local terms energy: -61.622966
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -185.868206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.868206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.868206 (E_RNA)
where:
Base-Base interactions energy: -120.214
where: short stacking energy: -50.004
Base-Backbone interact. energy: 0.445
local terms energy: -66.099058
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -8.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -185.802145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.802145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.802145 (E_RNA)
where:
Base-Base interactions energy: -125.001
where: short stacking energy: -62.451
Base-Backbone interact. energy: -0.752
local terms energy: -60.049396
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -316.002036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.002036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.002036 (E_RNA)
where:
Base-Base interactions energy: -223.726
where: short stacking energy: -108.306
Base-Backbone interact. energy: -0.131
local terms energy: -92.144780
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -24.598
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: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -330.451286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.451286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.451286 (E_RNA)
where:
Base-Base interactions energy: -243.930
where: short stacking energy: -101.235
Base-Backbone interact. energy: -0.863
local terms energy: -85.657720
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -24.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -298.920704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.920704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.920704 (E_RNA)
where:
Base-Base interactions energy: -226.134
where: short stacking energy: -86.148
Base-Backbone interact. energy: -0.225
local terms energy: -72.562215
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -307.636075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.636075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.636075 (E_RNA)
where:
Base-Base interactions energy: -216.135
where: short stacking energy: -105.874
Base-Backbone interact. energy: -0.001
local terms energy: -91.500126
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -24.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -273.692863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.692863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.692863 (E_RNA)
where:
Base-Base interactions energy: -192.026
where: short stacking energy: -88.280
Base-Backbone interact. energy: -0.221
local terms energy: -81.445711
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -12.066
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: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -247.130806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.130806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.130806 (E_RNA)
where:
Base-Base interactions energy: -172.243
where: short stacking energy: -85.035
Base-Backbone interact. energy: -0.143
local terms energy: -74.744426
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -16.203
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: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -243.451918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.451918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.451918 (E_RNA)
where:
Base-Base interactions energy: -172.013
where: short stacking energy: -76.411
Base-Backbone interact. energy: -0.071
local terms energy: -71.367092
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -9.635
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -13.845
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: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -255.640654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.640654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.640654 (E_RNA)
where:
Base-Base interactions energy: -176.713
where: short stacking energy: -78.751
Base-Backbone interact. energy: -0.211
local terms energy: -78.716526
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -11.793
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: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -182.438912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.438912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.438912 (E_RNA)
where:
Base-Base interactions energy: -125.628
where: short stacking energy: -58.849
Base-Backbone interact. energy: -0.069
local terms energy: -56.742391
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -8.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -166.316901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.316901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.316901 (E_RNA)
where:
Base-Base interactions energy: -105.550
where: short stacking energy: -54.219
Base-Backbone interact. energy: -0.284
local terms energy: -60.482799
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -9.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -335.025606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.025606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.025606 (E_RNA)
where:
Base-Base interactions energy: -244.133
where: short stacking energy: -101.725
Base-Backbone interact. energy: -0.488
local terms energy: -90.404913
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -25.689
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: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -309.199294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.199294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.199294 (E_RNA)
where:
Base-Base interactions energy: -222.163
where: short stacking energy: -96.450
Base-Backbone interact. energy: -0.060
local terms energy: -86.976538
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -27.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -306.944503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.944503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.944503 (E_RNA)
where:
Base-Base interactions energy: -223.016
where: short stacking energy: -98.436
Base-Backbone interact. energy: -0.012
local terms energy: -83.916292
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: -23.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -298.969479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.969479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.969479 (E_RNA)
where:
Base-Base interactions energy: -217.155
where: short stacking energy: -94.960
Base-Backbone interact. energy: -0.075
local terms energy: -81.739203
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -21.436
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: 5, replica: 1
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -241.047273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.047273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.047273 (E_RNA)
where:
Base-Base interactions energy: -166.856
where: short stacking energy: -76.536
Base-Backbone interact. energy: 0.788
local terms energy: -74.979092
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -266.988654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.988654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.988654 (E_RNA)
where:
Base-Base interactions energy: -199.025
where: short stacking energy: -85.122
Base-Backbone interact. energy: -0.064
local terms energy: -67.900119
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -11.863
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: 252
Temperature: 1.200000
Total energy: -266.697767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.697767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.697767 (E_RNA)
where:
Base-Base interactions energy: -195.174
where: short stacking energy: -88.150
Base-Backbone interact. energy: -0.049
local terms energy: -71.474804
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -11.714
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: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -225.976733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.976733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.976733 (E_RNA)
where:
Base-Base interactions energy: -162.678
where: short stacking energy: -66.066
Base-Backbone interact. energy: -0.173
local terms energy: -63.125877
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -12.323
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: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -205.342799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.342799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.342799 (E_RNA)
where:
Base-Base interactions energy: -134.786
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.064
local terms energy: -70.492568
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -181.447373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.447373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.447373 (E_RNA)
where:
Base-Base interactions energy: -125.405
where: short stacking energy: -67.916
Base-Backbone interact. energy: 2.050
local terms energy: -58.091960
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -9.848
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: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -323.952686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.952686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.952686 (E_RNA)
where:
Base-Base interactions energy: -241.976
where: short stacking energy: -105.787
Base-Backbone interact. energy: -0.173
local terms energy: -81.803901
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -309.568431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.568431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.568431 (E_RNA)
where:
Base-Base interactions energy: -219.391
where: short stacking energy: -98.625
Base-Backbone interact. energy: -0.266
local terms energy: -89.911019
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -26.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -298.236023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.236023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.236023 (E_RNA)
where:
Base-Base interactions energy: -212.358
where: short stacking energy: -101.530
Base-Backbone interact. energy: -0.434
local terms energy: -85.444129
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -25.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -309.359064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.359064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.359064 (E_RNA)
where:
Base-Base interactions energy: -226.527
where: short stacking energy: -94.281
Base-Backbone interact. energy: -0.001
local terms energy: -82.830722
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -23.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -246.836341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.836341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.836341 (E_RNA)
where:
Base-Base interactions energy: -174.553
where: short stacking energy: -63.246
Base-Backbone interact. energy: 1.205
local terms energy: -73.488652
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -15.834
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: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -256.997135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.997135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.997135 (E_RNA)
where:
Base-Base interactions energy: -188.741
where: short stacking energy: -80.595
Base-Backbone interact. energy: -0.233
local terms energy: -68.023228
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -14.706
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: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -252.203089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.203089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.203089 (E_RNA)
where:
Base-Base interactions energy: -189.271
where: short stacking energy: -73.771
Base-Backbone interact. energy: -1.244
local terms energy: -61.688111
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -12.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -206.446251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.446251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.446251 (E_RNA)
where:
Base-Base interactions energy: -134.111
where: short stacking energy: -63.687
Base-Backbone interact. energy: -0.628
local terms energy: -71.707063
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -229.097784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.097784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.097784 (E_RNA)
where:
Base-Base interactions energy: -164.080
where: short stacking energy: -57.087
Base-Backbone interact. energy: 0.530
local terms energy: -65.547600
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -196.735708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.735708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.735708 (E_RNA)
where:
Base-Base interactions energy: -128.558
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.128
local terms energy: -68.050395
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -316.825106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.825106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.825106 (E_RNA)
where:
Base-Base interactions energy: -229.036
where: short stacking energy: -97.351
Base-Backbone interact. energy: -0.002
local terms energy: -87.787450
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -26.697
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: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -310.062800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.062800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.062800 (E_RNA)
where:
Base-Base interactions energy: -219.365
where: short stacking energy: -94.356
Base-Backbone interact. energy: -0.580
local terms energy: -90.118221
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -309.423526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.423526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.423526 (E_RNA)
where:
Base-Base interactions energy: -220.329
where: short stacking energy: -95.767
Base-Backbone interact. energy: -0.102
local terms energy: -88.992755
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -26.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -308.210929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.210929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.210929 (E_RNA)
where:
Base-Base interactions energy: -223.858
where: short stacking energy: -96.983
Base-Backbone interact. energy: -0.103
local terms energy: -84.249713
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -24.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -270.697177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.697177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.697177 (E_RNA)
where:
Base-Base interactions energy: -191.348
where: short stacking energy: -78.632
Base-Backbone interact. energy: -0.271
local terms energy: -79.077377
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -243.486055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.486055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.486055 (E_RNA)
where:
Base-Base interactions energy: -168.438
where: short stacking energy: -71.250
Base-Backbone interact. energy: -0.010
local terms energy: -75.038200
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -247.617532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.617532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.617532 (E_RNA)
where:
Base-Base interactions energy: -182.554
where: short stacking energy: -68.538
Base-Backbone interact. energy: 0.555
local terms energy: -65.619064
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -9.298
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: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -187.185295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.185295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.185295 (E_RNA)
where:
Base-Base interactions energy: -129.894
where: short stacking energy: -73.781
Base-Backbone interact. energy: 0.936
local terms energy: -58.227402
where:
bonds (distance) C4'-P energy: -6.856
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -229.690159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.690159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.690159 (E_RNA)
where:
Base-Base interactions energy: -169.939
where: short stacking energy: -76.785
Base-Backbone interact. energy: -0.044
local terms energy: -59.707212
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -3.233
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: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -191.442338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.442338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.442338 (E_RNA)
where:
Base-Base interactions energy: -127.926
where: short stacking energy: -61.479
Base-Backbone interact. energy: -1.200
local terms energy: -62.315928
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -13.491
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: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -330.473503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.473503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.473503 (E_RNA)
where:
Base-Base interactions energy: -246.251
where: short stacking energy: -104.096
Base-Backbone interact. energy: -0.002
local terms energy: -84.220127
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -25.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -317.015478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.015478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.015478 (E_RNA)
where:
Base-Base interactions energy: -233.382
where: short stacking energy: -97.957
Base-Backbone interact. energy: -0.069
local terms energy: -83.564299
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -24.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -305.987960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.987960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.987960 (E_RNA)
where:
Base-Base interactions energy: -217.933
where: short stacking energy: -96.070
Base-Backbone interact. energy: -0.013
local terms energy: -88.042119
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -23.211
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: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -303.611805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.611805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.611805 (E_RNA)
where:
Base-Base interactions energy: -213.266
where: short stacking energy: -102.582
Base-Backbone interact. energy: -0.346
local terms energy: -90.000179
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -27.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -260.113728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.113728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.113728 (E_RNA)
where:
Base-Base interactions energy: -181.799
where: short stacking energy: -74.837
Base-Backbone interact. energy: 0.181
local terms energy: -78.495615
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -244.621529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.621529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.621529 (E_RNA)
where:
Base-Base interactions energy: -174.647
where: short stacking energy: -73.395
Base-Backbone interact. energy: 1.227
local terms energy: -71.202002
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -237.371479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.371479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.371479 (E_RNA)
where:
Base-Base interactions energy: -163.212
where: short stacking energy: -75.586
Base-Backbone interact. energy: 0.163
local terms energy: -74.322738
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -228.910854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.910854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.910854 (E_RNA)
where:
Base-Base interactions energy: -162.498
where: short stacking energy: -71.204
Base-Backbone interact. energy: -0.305
local terms energy: -66.107710
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -14.345
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: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -192.667354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.667354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.667354 (E_RNA)
where:
Base-Base interactions energy: -126.450
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.110
local terms energy: -66.107473
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -11.861
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: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -163.186269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.186269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.186269 (E_RNA)
where:
Base-Base interactions energy: -100.871
where: short stacking energy: -48.922
Base-Backbone interact. energy: -0.410
local terms energy: -61.905488
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -327.938240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.938240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.938240 (E_RNA)
where:
Base-Base interactions energy: -243.345
where: short stacking energy: -108.518
Base-Backbone interact. energy: -0.439
local terms energy: -84.154008
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -25.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -309.751413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.751413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.751413 (E_RNA)
where:
Base-Base interactions energy: -223.125
where: short stacking energy: -96.670
Base-Backbone interact. energy: -0.548
local terms energy: -86.078233
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -25.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -308.394845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.394845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.394845 (E_RNA)
where:
Base-Base interactions energy: -217.164
where: short stacking energy: -105.127
Base-Backbone interact. energy: -0.150
local terms energy: -91.080787
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -24.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -318.026861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.026861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.026861 (E_RNA)
where:
Base-Base interactions energy: -226.971
where: short stacking energy: -100.484
Base-Backbone interact. energy: -0.006
local terms energy: -91.050463
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -24.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -275.385253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.385253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.385253 (E_RNA)
where:
Base-Base interactions energy: -199.002
where: short stacking energy: -82.537
Base-Backbone interact. energy: -0.336
local terms energy: -76.047750
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -262.066216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.066216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.066216 (E_RNA)
where:
Base-Base interactions energy: -193.899
where: short stacking energy: -85.962
Base-Backbone interact. energy: -0.329
local terms energy: -67.838186
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -14.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -233.635451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.635451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.635451 (E_RNA)
where:
Base-Base interactions energy: -161.595
where: short stacking energy: -57.732
Base-Backbone interact. energy: -0.336
local terms energy: -71.704517
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -228.120483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.120483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.120483 (E_RNA)
where:
Base-Base interactions energy: -159.170
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.047
local terms energy: -68.903553
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -17.140
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: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -188.935429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.935429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.935429 (E_RNA)
where:
Base-Base interactions energy: -124.660
where: short stacking energy: -53.306
Base-Backbone interact. energy: -0.854
local terms energy: -63.421512
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -9.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -189.790245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.790245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.790245 (E_RNA)
where:
Base-Base interactions energy: -138.715
where: short stacking energy: -63.764
Base-Backbone interact. energy: -0.029
local terms energy: -51.045842
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -9.139
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: 1, replica: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -324.095795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.095795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.095795 (E_RNA)
where:
Base-Base interactions energy: -243.761
where: short stacking energy: -108.674
Base-Backbone interact. energy: -0.003
local terms energy: -80.332047
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -23.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -313.142056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.142056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.142056 (E_RNA)
where:
Base-Base interactions energy: -227.198
where: short stacking energy: -96.207
Base-Backbone interact. energy: -0.034
local terms energy: -85.909788
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -307.340115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.340115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.340115 (E_RNA)
where:
Base-Base interactions energy: -215.274
where: short stacking energy: -95.861
Base-Backbone interact. energy: -0.222
local terms energy: -91.844478
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -26.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -309.465955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.465955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.465955 (E_RNA)
where:
Base-Base interactions energy: -231.947
where: short stacking energy: -100.345
Base-Backbone interact. energy: -0.011
local terms energy: -77.508342
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -25.750
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: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -273.541159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.541159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.541159 (E_RNA)
where:
Base-Base interactions energy: -192.791
where: short stacking energy: -80.789
Base-Backbone interact. energy: -0.819
local terms energy: -79.931895
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -260.327288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.327288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.327288 (E_RNA)
where:
Base-Base interactions energy: -184.471
where: short stacking energy: -81.747
Base-Backbone interact. energy: -0.268
local terms energy: -75.588622
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -233.421893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.421893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.421893 (E_RNA)
where:
Base-Base interactions energy: -159.850
where: short stacking energy: -71.777
Base-Backbone interact. energy: 0.459
local terms energy: -74.030247
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -226.281608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.281608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.281608 (E_RNA)
where:
Base-Base interactions energy: -165.818
where: short stacking energy: -67.962
Base-Backbone interact. energy: -0.323
local terms energy: -60.139775
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -9.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -198.630079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.630079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.630079 (E_RNA)
where:
Base-Base interactions energy: -127.670
where: short stacking energy: -59.265
Base-Backbone interact. energy: -0.055
local terms energy: -70.905279
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -186.339032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.339032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.339032 (E_RNA)
where:
Base-Base interactions energy: -121.763
where: short stacking energy: -63.752
Base-Backbone interact. energy: -0.120
local terms energy: -64.455278
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -317.356800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.356800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.356800 (E_RNA)
where:
Base-Base interactions energy: -222.387
where: short stacking energy: -101.036
Base-Backbone interact. energy: -0.001
local terms energy: -94.969511
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -24.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -328.401140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.401140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.401140 (E_RNA)
where:
Base-Base interactions energy: -245.093
where: short stacking energy: -107.942
Base-Backbone interact. energy: -0.212
local terms energy: -83.096227
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -25.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -308.057629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.057629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.057629 (E_RNA)
where:
Base-Base interactions energy: -224.528
where: short stacking energy: -107.390
Base-Backbone interact. energy: -0.001
local terms energy: -83.528246
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -25.864
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: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -300.083310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.083310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.083310 (E_RNA)
where:
Base-Base interactions energy: -209.180
where: short stacking energy: -98.262
Base-Backbone interact. energy: 0.138
local terms energy: -91.040616
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -23.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -261.543687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.543687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.543687 (E_RNA)
where:
Base-Base interactions energy: -186.753
where: short stacking energy: -72.774
Base-Backbone interact. energy: -0.108
local terms energy: -74.682685
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -251.453044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.453044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.453044 (E_RNA)
where:
Base-Base interactions energy: -185.845
where: short stacking energy: -73.828
Base-Backbone interact. energy: -0.188
local terms energy: -65.419499
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -235.820107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.820107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.820107 (E_RNA)
where:
Base-Base interactions energy: -167.494
where: short stacking energy: -60.478
Base-Backbone interact. energy: -0.166
local terms energy: -68.160757
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -7.492
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: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -235.759775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.759775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.759775 (E_RNA)
where:
Base-Base interactions energy: -166.306
where: short stacking energy: -63.388
Base-Backbone interact. energy: -0.116
local terms energy: -69.338221
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -14.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -197.016660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.016660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.016660 (E_RNA)
where:
Base-Base interactions energy: -142.409
where: short stacking energy: -59.648
Base-Backbone interact. energy: -1.137
local terms energy: -53.471398
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -187.346540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.346540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.346540 (E_RNA)
where:
Base-Base interactions energy: -128.092
where: short stacking energy: -67.817
Base-Backbone interact. energy: -0.110
local terms energy: -59.144121
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -10.062
flat angles C4'-P-C4' energy: -7.950
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -312.375598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.375598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.375598 (E_RNA)
where:
Base-Base interactions energy: -221.770
where: short stacking energy: -100.696
Base-Backbone interact. energy: -0.181
local terms energy: -90.424143
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -23.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -325.678605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.678605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.678605 (E_RNA)
where:
Base-Base interactions energy: -240.150
where: short stacking energy: -107.644
Base-Backbone interact. energy: -0.323
local terms energy: -85.206126
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -25.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -302.547936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.547936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.547936 (E_RNA)
where:
Base-Base interactions energy: -216.686
where: short stacking energy: -99.051
Base-Backbone interact. energy: -0.027
local terms energy: -85.834530
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -25.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -281.831069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.831069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.831069 (E_RNA)
where:
Base-Base interactions energy: -202.836
where: short stacking energy: -94.755
Base-Backbone interact. energy: -0.005
local terms energy: -78.990749
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -18.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -294.890483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.890483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.890483 (E_RNA)
where:
Base-Base interactions energy: -209.060
where: short stacking energy: -104.444
Base-Backbone interact. energy: -0.026
local terms energy: -85.805058
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -24.562
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: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -242.952192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.952192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.952192 (E_RNA)
where:
Base-Base interactions energy: -174.631
where: short stacking energy: -70.304
Base-Backbone interact. energy: -0.038
local terms energy: -68.283752
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -14.329
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: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -257.708885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.708885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.708885 (E_RNA)
where:
Base-Base interactions energy: -190.507
where: short stacking energy: -72.119
Base-Backbone interact. energy: -0.445
local terms energy: -66.757352
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -10.310
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: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -220.137142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.137142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.137142 (E_RNA)
where:
Base-Base interactions energy: -150.805
where: short stacking energy: -67.311
Base-Backbone interact. energy: -0.430
local terms energy: -68.902051
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -10.904
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: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -201.772876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.772876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.772876 (E_RNA)
where:
Base-Base interactions energy: -138.162
where: short stacking energy: -75.219
Base-Backbone interact. energy: -0.146
local terms energy: -63.464456
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -184.603643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.603643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.603643 (E_RNA)
where:
Base-Base interactions energy: -123.764
where: short stacking energy: -64.815
Base-Backbone interact. energy: 0.151
local terms energy: -60.990342
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -12.680
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: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -334.518495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.518495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.518495 (E_RNA)
where:
Base-Base interactions energy: -249.337
where: short stacking energy: -107.038
Base-Backbone interact. energy: -0.129
local terms energy: -85.052561
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -26.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -320.350303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.350303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.350303 (E_RNA)
where:
Base-Base interactions energy: -230.937
where: short stacking energy: -103.173
Base-Backbone interact. energy: -0.003
local terms energy: -89.409985
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -24.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -307.608239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.608239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.608239 (E_RNA)
where:
Base-Base interactions energy: -219.811
where: short stacking energy: -94.551
Base-Backbone interact. energy: -0.798
local terms energy: -86.999300
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -289.271045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.271045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.271045 (E_RNA)
where:
Base-Base interactions energy: -212.456
where: short stacking energy: -91.383
Base-Backbone interact. energy: -0.316
local terms energy: -76.499915
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -21.546
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: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -303.619571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.619571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.619571 (E_RNA)
where:
Base-Base interactions energy: -213.137
where: short stacking energy: -105.874
Base-Backbone interact. energy: -0.244
local terms energy: -90.238649
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -24.529
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: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -240.082702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.082702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.082702 (E_RNA)
where:
Base-Base interactions energy: -170.037
where: short stacking energy: -65.708
Base-Backbone interact. energy: -0.130
local terms energy: -69.915441
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -5.589
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: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -235.372763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.372763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.372763 (E_RNA)
where:
Base-Base interactions energy: -164.193
where: short stacking energy: -77.888
Base-Backbone interact. energy: -0.159
local terms energy: -71.020412
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -246.190551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.190551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.190551 (E_RNA)
where:
Base-Base interactions energy: -179.138
where: short stacking energy: -65.263
Base-Backbone interact. energy: -1.118
local terms energy: -65.934894
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -11.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -185.112796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.112796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.112796 (E_RNA)
where:
Base-Base interactions energy: -118.835
where: short stacking energy: -58.767
Base-Backbone interact. energy: -0.122
local terms energy: -66.155766
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -6.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -182.085546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.085546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.085546 (E_RNA)
where:
Base-Base interactions energy: -126.026
where: short stacking energy: -61.763
Base-Backbone interact. energy: -0.709
local terms energy: -55.350277
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -14.270
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: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -329.359682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.359682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.359682 (E_RNA)
where:
Base-Base interactions energy: -239.982
where: short stacking energy: -102.443
Base-Backbone interact. energy: -0.115
local terms energy: -89.262997
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -25.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -317.062562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.062562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.062562 (E_RNA)
where:
Base-Base interactions energy: -222.630
where: short stacking energy: -105.956
Base-Backbone interact. energy: -0.787
local terms energy: -93.645748
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -23.759
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: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -305.151170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.151170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.151170 (E_RNA)
where:
Base-Base interactions energy: -214.182
where: short stacking energy: -97.108
Base-Backbone interact. energy: -0.070
local terms energy: -90.899341
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -26.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -311.916589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.916589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.916589 (E_RNA)
where:
Base-Base interactions energy: -237.721
where: short stacking energy: -105.425
Base-Backbone interact. energy: -0.020
local terms energy: -74.175732
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -2.257
tors. eta vs tors. theta energy: -25.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -291.480323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.480323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.480323 (E_RNA)
where:
Base-Base interactions energy: -206.413
where: short stacking energy: -86.220
Base-Backbone interact. energy: -0.254
local terms energy: -84.812435
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -18.783
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: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -243.204868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.204868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.204868 (E_RNA)
where:
Base-Base interactions energy: -170.269
where: short stacking energy: -74.478
Base-Backbone interact. energy: -0.882
local terms energy: -72.053898
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -18.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -235.796772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.796772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.796772 (E_RNA)
where:
Base-Base interactions energy: -166.057
where: short stacking energy: -70.171
Base-Backbone interact. energy: 1.142
local terms energy: -70.880831
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -9.837
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: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -206.746510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.746510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.746510 (E_RNA)
where:
Base-Base interactions energy: -138.605
where: short stacking energy: -66.145
Base-Backbone interact. energy: -0.103
local terms energy: -68.037770
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -9.651
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: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -234.920407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.920407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.920407 (E_RNA)
where:
Base-Base interactions energy: -163.918
where: short stacking energy: -62.045
Base-Backbone interact. energy: -1.397
local terms energy: -69.604684
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -11.122
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: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -181.872446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.872446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.872446 (E_RNA)
where:
Base-Base interactions energy: -119.280
where: short stacking energy: -64.593
Base-Backbone interact. energy: 0.870
local terms energy: -63.461661
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -326.460422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.460422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.460422 (E_RNA)
where:
Base-Base interactions energy: -237.500
where: short stacking energy: -104.246
Base-Backbone interact. energy: -0.048
local terms energy: -88.912736
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -23.751
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: -314.257774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.257774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.257774 (E_RNA)
where:
Base-Base interactions energy: -221.335
where: short stacking energy: -105.193
Base-Backbone interact. energy: -0.061
local terms energy: -92.860892
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -27.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -300.772967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.772967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.772967 (E_RNA)
where:
Base-Base interactions energy: -214.932
where: short stacking energy: -86.149
Base-Backbone interact. energy: -0.032
local terms energy: -85.809168
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -26.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -311.909875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.909875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.909875 (E_RNA)
where:
Base-Base interactions energy: -220.760
where: short stacking energy: -103.644
Base-Backbone interact. energy: -0.002
local terms energy: -91.147891
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -25.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -275.568182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.568182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.568182 (E_RNA)
where:
Base-Base interactions energy: -207.800
where: short stacking energy: -93.856
Base-Backbone interact. energy: -0.518
local terms energy: -67.249825
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -245.279818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.279818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.279818 (E_RNA)
where:
Base-Base interactions energy: -165.809
where: short stacking energy: -71.866
Base-Backbone interact. energy: 1.378
local terms energy: -80.848553
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -17.342
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: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -228.296723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.296723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.296723 (E_RNA)
where:
Base-Base interactions energy: -161.251
where: short stacking energy: -71.482
Base-Backbone interact. energy: -1.076
local terms energy: -65.969427
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -10.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -216.411423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.411423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.411423 (E_RNA)
where:
Base-Base interactions energy: -152.105
where: short stacking energy: -78.202
Base-Backbone interact. energy: 0.851
local terms energy: -65.157469
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -232.782362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.782362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.782362 (E_RNA)
where:
Base-Base interactions energy: -162.175
where: short stacking energy: -74.072
Base-Backbone interact. energy: -0.291
local terms energy: -70.315592
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -179.178490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.178490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.178490 (E_RNA)
where:
Base-Base interactions energy: -111.184
where: short stacking energy: -48.346
Base-Backbone interact. energy: -0.209
local terms energy: -67.786006
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -323.636031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.636031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.636031 (E_RNA)
where:
Base-Base interactions energy: -234.998
where: short stacking energy: -100.643
Base-Backbone interact. energy: -0.056
local terms energy: -88.581997
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -26.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -297.722979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.722979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.722979 (E_RNA)
where:
Base-Base interactions energy: -212.314
where: short stacking energy: -94.423
Base-Backbone interact. energy: -0.024
local terms energy: -85.384490
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -22.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -313.849380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.849380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.849380 (E_RNA)
where:
Base-Base interactions energy: -227.507
where: short stacking energy: -106.178
Base-Backbone interact. energy: -0.002
local terms energy: -86.340300
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -25.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -312.887559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.887559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.887559 (E_RNA)
where:
Base-Base interactions energy: -227.468
where: short stacking energy: -107.067
Base-Backbone interact. energy: -0.001
local terms energy: -85.418781
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -23.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -275.242691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.242691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.242691 (E_RNA)
where:
Base-Base interactions energy: -207.901
where: short stacking energy: -85.232
Base-Backbone interact. energy: 0.361
local terms energy: -67.702553
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -240.039966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.039966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.039966 (E_RNA)
where:
Base-Base interactions energy: -160.889
where: short stacking energy: -75.079
Base-Backbone interact. energy: -0.008
local terms energy: -79.142665
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -13.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -234.772425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.772425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.772425 (E_RNA)
where:
Base-Base interactions energy: -161.820
where: short stacking energy: -69.787
Base-Backbone interact. energy: -0.004
local terms energy: -72.948036
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -3.296
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -220.537783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.537783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.537783 (E_RNA)
where:
Base-Base interactions energy: -149.397
where: short stacking energy: -65.664
Base-Backbone interact. energy: -0.078
local terms energy: -71.062569
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -204.924961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.924961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.924961 (E_RNA)
where:
Base-Base interactions energy: -141.213
where: short stacking energy: -66.264
Base-Backbone interact. energy: 0.162
local terms energy: -63.874755
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -178.111084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.111084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.111084 (E_RNA)
where:
Base-Base interactions energy: -122.180
where: short stacking energy: -45.504
Base-Backbone interact. energy: -0.032
local terms energy: -55.898555
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -325.998217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.998217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.998217 (E_RNA)
where:
Base-Base interactions energy: -233.896
where: short stacking energy: -102.813
Base-Backbone interact. energy: -0.217
local terms energy: -91.886016
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -25.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -299.826930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.826930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.826930 (E_RNA)
where:
Base-Base interactions energy: -221.997
where: short stacking energy: -96.727
Base-Backbone interact. energy: -0.199
local terms energy: -77.631033
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -22.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -307.156485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.156485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.156485 (E_RNA)
where:
Base-Base interactions energy: -217.476
where: short stacking energy: -105.495
Base-Backbone interact. energy: -0.001
local terms energy: -89.679522
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -27.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -314.404861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.404861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.404861 (E_RNA)
where:
Base-Base interactions energy: -230.306
where: short stacking energy: -95.913
Base-Backbone interact. energy: -0.345
local terms energy: -83.753393
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -24.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -252.363469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.363469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.363469 (E_RNA)
where:
Base-Base interactions energy: -172.742
where: short stacking energy: -87.870
Base-Backbone interact. energy: 0.590
local terms energy: -80.211346
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -22.215
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: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -252.470336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.470336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.470336 (E_RNA)
where:
Base-Base interactions energy: -183.070
where: short stacking energy: -80.528
Base-Backbone interact. energy: -0.344
local terms energy: -69.056005
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -13.678
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: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -235.413425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.413425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.413425 (E_RNA)
where:
Base-Base interactions energy: -169.443
where: short stacking energy: -75.022
Base-Backbone interact. energy: 0.374
local terms energy: -66.343912
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -13.507
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: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -236.912888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.912888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.912888 (E_RNA)
where:
Base-Base interactions energy: -176.079
where: short stacking energy: -72.899
Base-Backbone interact. energy: -0.033
local terms energy: -60.801285
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -201.885677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.885677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.885677 (E_RNA)
where:
Base-Base interactions energy: -122.651
where: short stacking energy: -64.842
Base-Backbone interact. energy: -0.932
local terms energy: -78.303080
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -182.043217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.043217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.043217 (E_RNA)
where:
Base-Base interactions energy: -129.547
where: short stacking energy: -64.172
Base-Backbone interact. energy: 0.257
local terms energy: -52.753959
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -9.433
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -323.785112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.785112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.785112 (E_RNA)
where:
Base-Base interactions energy: -237.363
where: short stacking energy: -102.254
Base-Backbone interact. energy: -0.286
local terms energy: -86.136586
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -307.789126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.789126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.789126 (E_RNA)
where:
Base-Base interactions energy: -217.018
where: short stacking energy: -95.344
Base-Backbone interact. energy: 0.624
local terms energy: -91.395821
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -22.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -301.120733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.120733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.120733 (E_RNA)
where:
Base-Base interactions energy: -213.760
where: short stacking energy: -93.306
Base-Backbone interact. energy: -0.003
local terms energy: -87.357352
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -24.275
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: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -305.431174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.431174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.431174 (E_RNA)
where:
Base-Base interactions energy: -219.051
where: short stacking energy: -95.653
Base-Backbone interact. energy: -0.000
local terms energy: -86.379862
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -25.989
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: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -258.372398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.372398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.372398 (E_RNA)
where:
Base-Base interactions energy: -171.905
where: short stacking energy: -77.997
Base-Backbone interact. energy: -0.812
local terms energy: -85.654785
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -21.196
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: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -260.033724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.033724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.033724 (E_RNA)
where:
Base-Base interactions energy: -184.200
where: short stacking energy: -75.684
Base-Backbone interact. energy: -0.336
local terms energy: -75.497853
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -14.174
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: 7, replica: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -253.448104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.448104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.448104 (E_RNA)
where:
Base-Base interactions energy: -173.686
where: short stacking energy: -73.260
Base-Backbone interact. energy: -0.053
local terms energy: -79.709667
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -233.715539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.715539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.715539 (E_RNA)
where:
Base-Base interactions energy: -159.945
where: short stacking energy: -65.667
Base-Backbone interact. energy: 0.114
local terms energy: -73.884216
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -189.192623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.192623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.192623 (E_RNA)
where:
Base-Base interactions energy: -130.021
where: short stacking energy: -53.714
Base-Backbone interact. energy: 0.304
local terms energy: -59.475670
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -181.213288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.213288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.213288 (E_RNA)
where:
Base-Base interactions energy: -122.564
where: short stacking energy: -70.344
Base-Backbone interact. energy: -0.052
local terms energy: -58.597502
where:
bonds (distance) C4'-P energy: -4.602
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -8.421
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: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -323.789056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.789056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.789056 (E_RNA)
where:
Base-Base interactions energy: -232.529
where: short stacking energy: -104.702
Base-Backbone interact. energy: -0.035
local terms energy: -91.224971
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -25.399
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: 2, replica: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -318.685563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.685563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.685563 (E_RNA)
where:
Base-Base interactions energy: -231.842
where: short stacking energy: -98.621
Base-Backbone interact. energy: -0.158
local terms energy: -86.685055
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -26.190
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: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -299.339798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.339798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.339798 (E_RNA)
where:
Base-Base interactions energy: -210.373
where: short stacking energy: -98.162
Base-Backbone interact. energy: -0.047
local terms energy: -88.920020
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -298.250045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.250045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.250045 (E_RNA)
where:
Base-Base interactions energy: -215.637
where: short stacking energy: -97.682
Base-Backbone interact. energy: -0.001
local terms energy: -82.611643
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -258.524163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.524163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.524163 (E_RNA)
where:
Base-Base interactions energy: -184.973
where: short stacking energy: -83.029
Base-Backbone interact. energy: 1.266
local terms energy: -74.817130
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -19.093
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: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -273.180781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.180781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.180781 (E_RNA)
where:
Base-Base interactions energy: -206.355
where: short stacking energy: -86.301
Base-Backbone interact. energy: -0.320
local terms energy: -66.505949
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -11.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -234.153096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.153096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.153096 (E_RNA)
where:
Base-Base interactions energy: -167.476
where: short stacking energy: -67.629
Base-Backbone interact. energy: -0.827
local terms energy: -65.850027
where:
bonds (distance) C4'-P energy: -8.127
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -14.869
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: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -250.598556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.598556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.598556 (E_RNA)
where:
Base-Base interactions energy: -181.928
where: short stacking energy: -80.502
Base-Backbone interact. energy: -0.151
local terms energy: -68.519122
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -205.949205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.949205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.949205 (E_RNA)
where:
Base-Base interactions energy: -138.018
where: short stacking energy: -79.575
Base-Backbone interact. energy: -1.580
local terms energy: -66.351219
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -192.316218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.316218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.316218 (E_RNA)
where:
Base-Base interactions energy: -122.017
where: short stacking energy: -62.762
Base-Backbone interact. energy: -0.480
local terms energy: -69.819446
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -12.072
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: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -329.920225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.920225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.920225 (E_RNA)
where:
Base-Base interactions energy: -241.664
where: short stacking energy: -102.611
Base-Backbone interact. energy: -0.348
local terms energy: -87.908489
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -24.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -319.687737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.687737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.687737 (E_RNA)
where:
Base-Base interactions energy: -235.626
where: short stacking energy: -104.263
Base-Backbone interact. energy: -0.597
local terms energy: -83.465423
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -307.927797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.927797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.927797 (E_RNA)
where:
Base-Base interactions energy: -218.748
where: short stacking energy: -90.705
Base-Backbone interact. energy: -0.003
local terms energy: -89.176066
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -23.227
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: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -303.196458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.196458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.196458 (E_RNA)
where:
Base-Base interactions energy: -214.891
where: short stacking energy: -105.745
Base-Backbone interact. energy: -0.047
local terms energy: -88.258541
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -24.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -244.653337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.653337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.653337 (E_RNA)
where:
Base-Base interactions energy: -171.265
where: short stacking energy: -81.355
Base-Backbone interact. energy: -0.886
local terms energy: -72.502442
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -17.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -275.947201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.947201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.947201 (E_RNA)
where:
Base-Base interactions energy: -203.894
where: short stacking energy: -82.105
Base-Backbone interact. energy: -0.226
local terms energy: -71.827452
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -222.297740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.297740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.297740 (E_RNA)
where:
Base-Base interactions energy: -150.644
where: short stacking energy: -54.766
Base-Backbone interact. energy: -0.184
local terms energy: -71.469599
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -209.485387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.485387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.485387 (E_RNA)
where:
Base-Base interactions energy: -142.453
where: short stacking energy: -79.332
Base-Backbone interact. energy: 0.196
local terms energy: -67.228014
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -239.461167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.461167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.461167 (E_RNA)
where:
Base-Base interactions energy: -170.817
where: short stacking energy: -70.283
Base-Backbone interact. energy: -0.451
local terms energy: -68.192928
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -184.246669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.246669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.246669 (E_RNA)
where:
Base-Base interactions energy: -122.429
where: short stacking energy: -60.372
Base-Backbone interact. energy: -0.085
local terms energy: -61.733308
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -308.261516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.261516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.261516 (E_RNA)
where:
Base-Base interactions energy: -217.461
where: short stacking energy: -98.539
Base-Backbone interact. energy: -0.263
local terms energy: -90.537264
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -24.422
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: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -325.601490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.601490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.601490 (E_RNA)
where:
Base-Base interactions energy: -242.017
where: short stacking energy: -105.553
Base-Backbone interact. energy: -0.608
local terms energy: -82.976350
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -26.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -303.285781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.285781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.285781 (E_RNA)
where:
Base-Base interactions energy: -213.468
where: short stacking energy: -100.177
Base-Backbone interact. energy: 0.623
local terms energy: -90.440771
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -303.319507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.319507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.319507 (E_RNA)
where:
Base-Base interactions energy: -220.938
where: short stacking energy: -92.355
Base-Backbone interact. energy: -0.083
local terms energy: -82.298457
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -23.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -246.517610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.517610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.517610 (E_RNA)
where:
Base-Base interactions energy: -175.469
where: short stacking energy: -86.529
Base-Backbone interact. energy: 0.270
local terms energy: -71.318185
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -238.009150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.009150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.009150 (E_RNA)
where:
Base-Base interactions energy: -169.188
where: short stacking energy: -72.616
Base-Backbone interact. energy: -0.394
local terms energy: -68.426825
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -211.336732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.336732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.336732 (E_RNA)
where:
Base-Base interactions energy: -144.312
where: short stacking energy: -80.407
Base-Backbone interact. energy: -0.141
local terms energy: -66.883664
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -12.848
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: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -230.995014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.995014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.995014 (E_RNA)
where:
Base-Base interactions energy: -154.380
where: short stacking energy: -58.497
Base-Backbone interact. energy: -0.975
local terms energy: -75.640548
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -11.339
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: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -255.383111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.383111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.383111 (E_RNA)
where:
Base-Base interactions energy: -186.907
where: short stacking energy: -76.339
Base-Backbone interact. energy: 0.021
local terms energy: -68.496984
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -196.558390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.558390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.558390 (E_RNA)
where:
Base-Base interactions energy: -126.728
where: short stacking energy: -68.090
Base-Backbone interact. energy: -0.010
local terms energy: -69.820309
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -311.197137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.197137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.197137 (E_RNA)
where:
Base-Base interactions energy: -230.174
where: short stacking energy: -95.515
Base-Backbone interact. energy: -0.226
local terms energy: -80.797109
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -302.404558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.404558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.404558 (E_RNA)
where:
Base-Base interactions energy: -219.418
where: short stacking energy: -99.527
Base-Backbone interact. energy: -0.014
local terms energy: -82.972233
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -321.034482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.034482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.034482 (E_RNA)
where:
Base-Base interactions energy: -233.380
where: short stacking energy: -96.364
Base-Backbone interact. energy: -0.395
local terms energy: -87.259429
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -26.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -303.634874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.634874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.634874 (E_RNA)
where:
Base-Base interactions energy: -215.498
where: short stacking energy: -92.091
Base-Backbone interact. energy: -0.012
local terms energy: -88.124941
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -21.452
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: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -254.388493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.388493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.388493 (E_RNA)
where:
Base-Base interactions energy: -177.847
where: short stacking energy: -78.403
Base-Backbone interact. energy: -0.068
local terms energy: -76.473459
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -265.205704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.205704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.205704 (E_RNA)
where:
Base-Base interactions energy: -193.425
where: short stacking energy: -79.837
Base-Backbone interact. energy: -0.168
local terms energy: -71.613198
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -13.279
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: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -204.143049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.143049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.143049 (E_RNA)
where:
Base-Base interactions energy: -141.500
where: short stacking energy: -53.860
Base-Backbone interact. energy: -0.331
local terms energy: -62.311953
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -246.993720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.993720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.993720 (E_RNA)
where:
Base-Base interactions energy: -178.490
where: short stacking energy: -66.828
Base-Backbone interact. energy: 2.196
local terms energy: -70.700015
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -225.928213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.928213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.928213 (E_RNA)
where:
Base-Base interactions energy: -162.561
where: short stacking energy: -70.641
Base-Backbone interact. energy: -0.741
local terms energy: -62.626367
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.251
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: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -212.142163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.142163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.142163 (E_RNA)
where:
Base-Base interactions energy: -139.651
where: short stacking energy: -67.707
Base-Backbone interact. energy: 2.682
local terms energy: -75.173017
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -15.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -314.660383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.660383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.660383 (E_RNA)
where:
Base-Base interactions energy: -226.639
where: short stacking energy: -92.414
Base-Backbone interact. energy: -0.032
local terms energy: -87.989757
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -24.339
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: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -300.357321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.357321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.357321 (E_RNA)
where:
Base-Base interactions energy: -213.627
where: short stacking energy: -101.044
Base-Backbone interact. energy: -0.001
local terms energy: -86.729792
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -20.562
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: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -311.868181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.868181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.868181 (E_RNA)
where:
Base-Base interactions energy: -232.375
where: short stacking energy: -101.823
Base-Backbone interact. energy: -0.022
local terms energy: -79.471960
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -24.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -302.906233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.906233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.906233 (E_RNA)
where:
Base-Base interactions energy: -217.939
where: short stacking energy: -98.214
Base-Backbone interact. energy: 0.781
local terms energy: -85.747850
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -26.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -271.581524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.581524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.581524 (E_RNA)
where:
Base-Base interactions energy: -199.328
where: short stacking energy: -86.753
Base-Backbone interact. energy: -0.689
local terms energy: -71.564684
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -242.381656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.381656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.381656 (E_RNA)
where:
Base-Base interactions energy: -171.785
where: short stacking energy: -76.567
Base-Backbone interact. energy: -0.009
local terms energy: -70.588302
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -18.898
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: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -255.229489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.229489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.229489 (E_RNA)
where:
Base-Base interactions energy: -198.173
where: short stacking energy: -81.788
Base-Backbone interact. energy: -0.260
local terms energy: -56.796713
where:
bonds (distance) C4'-P energy: -5.414
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -225.820629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.820629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.820629 (E_RNA)
where:
Base-Base interactions energy: -161.998
where: short stacking energy: -81.546
Base-Backbone interact. energy: -0.046
local terms energy: -63.776683
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -18.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -213.757807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.757807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.757807 (E_RNA)
where:
Base-Base interactions energy: -150.303
where: short stacking energy: -61.992
Base-Backbone interact. energy: -0.095
local terms energy: -63.360483
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -205.023145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.023145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.023145 (E_RNA)
where:
Base-Base interactions energy: -130.396
where: short stacking energy: -63.412
Base-Backbone interact. energy: -0.072
local terms energy: -74.555691
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -17.186
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: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -321.931079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.931079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.931079 (E_RNA)
where:
Base-Base interactions energy: -229.118
where: short stacking energy: -96.693
Base-Backbone interact. energy: -0.027
local terms energy: -92.785828
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -26.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -304.422220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.422220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.422220 (E_RNA)
where:
Base-Base interactions energy: -216.716
where: short stacking energy: -102.922
Base-Backbone interact. energy: -0.005
local terms energy: -87.701458
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -24.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -312.919907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.919907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.919907 (E_RNA)
where:
Base-Base interactions energy: -237.519
where: short stacking energy: -99.566
Base-Backbone interact. energy: -0.627
local terms energy: -74.774052
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -25.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -288.072684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.072684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.072684 (E_RNA)
where:
Base-Base interactions energy: -215.338
where: short stacking energy: -87.091
Base-Backbone interact. energy: -0.389
local terms energy: -72.345834
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -8.290
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: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -292.640012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.640012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.640012 (E_RNA)
where:
Base-Base interactions energy: -207.219
where: short stacking energy: -94.386
Base-Backbone interact. energy: -0.006
local terms energy: -85.414509
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -24.667
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: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -260.742700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.742700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.742700 (E_RNA)
where:
Base-Base interactions energy: -194.500
where: short stacking energy: -70.706
Base-Backbone interact. energy: 0.558
local terms energy: -66.800628
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -241.307964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.307964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.307964 (E_RNA)
where:
Base-Base interactions energy: -174.269
where: short stacking energy: -75.902
Base-Backbone interact. energy: -0.090
local terms energy: -66.948540
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -16.619
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: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -220.603045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.603045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.603045 (E_RNA)
where:
Base-Base interactions energy: -153.123
where: short stacking energy: -65.206
Base-Backbone interact. energy: -0.103
local terms energy: -67.377864
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -9.454
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: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -208.934376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.934376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.934376 (E_RNA)
where:
Base-Base interactions energy: -133.847
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.046
local terms energy: -75.041953
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -187.466697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.466697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.466697 (E_RNA)
where:
Base-Base interactions energy: -130.949
where: short stacking energy: -60.402
Base-Backbone interact. energy: -1.021
local terms energy: -55.496582
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -324.592593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.592593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.592593 (E_RNA)
where:
Base-Base interactions energy: -239.795
where: short stacking energy: -104.362
Base-Backbone interact. energy: -0.090
local terms energy: -84.707624
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -311.596754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.596754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.596754 (E_RNA)
where:
Base-Base interactions energy: -221.559
where: short stacking energy: -93.183
Base-Backbone interact. energy: 0.120
local terms energy: -90.158203
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -314.999650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.999650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.999650 (E_RNA)
where:
Base-Base interactions energy: -234.572
where: short stacking energy: -100.951
Base-Backbone interact. energy: -0.373
local terms energy: -80.054448
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -26.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -286.510553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.510553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.510553 (E_RNA)
where:
Base-Base interactions energy: -213.612
where: short stacking energy: -88.261
Base-Backbone interact. energy: 0.017
local terms energy: -72.915201
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -8.847
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: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -297.516180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.516180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.516180 (E_RNA)
where:
Base-Base interactions energy: -222.359
where: short stacking energy: -96.941
Base-Backbone interact. energy: 1.197
local terms energy: -76.353994
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -23.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -271.683335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.683335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.683335 (E_RNA)
where:
Base-Base interactions energy: -198.464
where: short stacking energy: -81.011
Base-Backbone interact. energy: -0.526
local terms energy: -72.692512
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -8.798
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: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -260.422149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.422149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.422149 (E_RNA)
where:
Base-Base interactions energy: -175.239
where: short stacking energy: -72.924
Base-Backbone interact. energy: -0.269
local terms energy: -84.914559
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -228.057380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.057380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.057380 (E_RNA)
where:
Base-Base interactions energy: -158.890
where: short stacking energy: -64.213
Base-Backbone interact. energy: 0.478
local terms energy: -69.645801
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -192.291173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.291173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.291173 (E_RNA)
where:
Base-Base interactions energy: -137.547
where: short stacking energy: -61.580
Base-Backbone interact. energy: 0.820
local terms energy: -55.564612
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -7.478
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -13.771
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: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -188.599648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.599648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.599648 (E_RNA)
where:
Base-Base interactions energy: -124.446
where: short stacking energy: -58.065
Base-Backbone interact. energy: -1.158
local terms energy: -62.995560
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -9.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -323.395110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.395110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.395110 (E_RNA)
where:
Base-Base interactions energy: -244.075
where: short stacking energy: -107.099
Base-Backbone interact. energy: -0.048
local terms energy: -79.271942
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -25.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -318.828791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.828791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.828791 (E_RNA)
where:
Base-Base interactions energy: -235.262
where: short stacking energy: -106.265
Base-Backbone interact. energy: -0.257
local terms energy: -83.309725
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -22.516
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: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -311.263856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.263856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.263856 (E_RNA)
where:
Base-Base interactions energy: -223.228
where: short stacking energy: -98.712
Base-Backbone interact. energy: -0.336
local terms energy: -87.700232
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -25.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -290.714798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.714798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.714798 (E_RNA)
where:
Base-Base interactions energy: -212.130
where: short stacking energy: -101.208
Base-Backbone interact. energy: -0.002
local terms energy: -78.583325
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -20.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -279.765881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.765881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.765881 (E_RNA)
where:
Base-Base interactions energy: -207.546
where: short stacking energy: -86.907
Base-Backbone interact. energy: 0.747
local terms energy: -72.966228
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -259.183314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.183314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.183314 (E_RNA)
where:
Base-Base interactions energy: -189.608
where: short stacking energy: -80.838
Base-Backbone interact. energy: -0.329
local terms energy: -69.247093
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -249.068784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.068784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.068784 (E_RNA)
where:
Base-Base interactions energy: -174.868
where: short stacking energy: -73.547
Base-Backbone interact. energy: -0.349
local terms energy: -73.851809
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -233.398904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.398904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.398904 (E_RNA)
where:
Base-Base interactions energy: -163.381
where: short stacking energy: -77.396
Base-Backbone interact. energy: -0.072
local terms energy: -69.945463
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -177.942371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.942371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.942371 (E_RNA)
where:
Base-Base interactions energy: -120.785
where: short stacking energy: -55.068
Base-Backbone interact. energy: -0.214
local terms energy: -56.943000
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -184.749837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.749837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.749837 (E_RNA)
where:
Base-Base interactions energy: -129.675
where: short stacking energy: -61.860
Base-Backbone interact. energy: -0.215
local terms energy: -54.859080
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -1.387
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -323.121840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.121840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.121840 (E_RNA)
where:
Base-Base interactions energy: -238.378
where: short stacking energy: -93.627
Base-Backbone interact. energy: -0.005
local terms energy: -84.739143
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -26.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -316.136409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.136409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.136409 (E_RNA)
where:
Base-Base interactions energy: -232.977
where: short stacking energy: -95.758
Base-Backbone interact. energy: -0.362
local terms energy: -82.796621
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -24.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -307.825312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.825312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.825312 (E_RNA)
where:
Base-Base interactions energy: -214.162
where: short stacking energy: -97.979
Base-Backbone interact. energy: 1.369
local terms energy: -95.032370
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -27.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -297.369167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.369167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.369167 (E_RNA)
where:
Base-Base interactions energy: -208.895
where: short stacking energy: -92.340
Base-Backbone interact. energy: -0.009
local terms energy: -88.465366
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -22.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -274.952398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.952398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.952398 (E_RNA)
where:
Base-Base interactions energy: -198.234
where: short stacking energy: -88.611
Base-Backbone interact. energy: -0.260
local terms energy: -76.458402
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -256.076877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.076877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.076877 (E_RNA)
where:
Base-Base interactions energy: -187.200
where: short stacking energy: -78.672
Base-Backbone interact. energy: -0.181
local terms energy: -68.695737
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -246.907190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.907190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.907190 (E_RNA)
where:
Base-Base interactions energy: -171.979
where: short stacking energy: -73.255
Base-Backbone interact. energy: -0.274
local terms energy: -74.653622
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -240.874587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.874587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.874587 (E_RNA)
where:
Base-Base interactions energy: -170.464
where: short stacking energy: -74.249
Base-Backbone interact. energy: -0.066
local terms energy: -70.345190
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -202.268413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.268413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.268413 (E_RNA)
where:
Base-Base interactions energy: -136.366
where: short stacking energy: -75.995
Base-Backbone interact. energy: -0.008
local terms energy: -65.893927
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -205.972392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.972392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.972392 (E_RNA)
where:
Base-Base interactions energy: -145.510
where: short stacking energy: -75.721
Base-Backbone interact. energy: -0.029
local terms energy: -60.433854
where:
bonds (distance) C4'-P energy: -8.002
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -312.519869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.519869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.519869 (E_RNA)
where:
Base-Base interactions energy: -219.394
where: short stacking energy: -100.006
Base-Backbone interact. energy: -0.533
local terms energy: -92.592132
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -27.353
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: 5
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -315.580205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.580205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.580205 (E_RNA)
where:
Base-Base interactions energy: -228.092
where: short stacking energy: -99.030
Base-Backbone interact. energy: -0.916
local terms energy: -86.572405
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -25.196
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: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -299.545544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.545544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.545544 (E_RNA)
where:
Base-Base interactions energy: -209.746
where: short stacking energy: -96.125
Base-Backbone interact. energy: -0.004
local terms energy: -89.795517
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -25.314
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: 4, replica: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -314.394628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.394628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.394628 (E_RNA)
where:
Base-Base interactions energy: -225.198
where: short stacking energy: -102.949
Base-Backbone interact. energy: -0.148
local terms energy: -89.048139
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -269.849647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.849647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.849647 (E_RNA)
where:
Base-Base interactions energy: -191.438
where: short stacking energy: -78.806
Base-Backbone interact. energy: -0.257
local terms energy: -78.154538
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -246.411044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.411044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.411044 (E_RNA)
where:
Base-Base interactions energy: -165.061
where: short stacking energy: -81.674
Base-Backbone interact. energy: -0.389
local terms energy: -80.960401
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -12.905
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: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -229.800927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.800927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.800927 (E_RNA)
where:
Base-Base interactions energy: -161.281
where: short stacking energy: -71.578
Base-Backbone interact. energy: -0.089
local terms energy: -68.430894
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -10.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -249.119849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.119849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.119849 (E_RNA)
where:
Base-Base interactions energy: -171.027
where: short stacking energy: -78.504
Base-Backbone interact. energy: -0.075
local terms energy: -78.017420
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -182.149290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.149290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.149290 (E_RNA)
where:
Base-Base interactions energy: -123.477
where: short stacking energy: -65.671
Base-Backbone interact. energy: -0.327
local terms energy: -58.345723
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -205.517975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.517975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.517975 (E_RNA)
where:
Base-Base interactions energy: -132.971
where: short stacking energy: -75.786
Base-Backbone interact. energy: -0.412
local terms energy: -72.135158
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -320.726136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.726136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.726136 (E_RNA)
where:
Base-Base interactions energy: -235.355
where: short stacking energy: -105.114
Base-Backbone interact. energy: 0.272
local terms energy: -85.642574
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -23.704
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: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -311.051835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.051835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.051835 (E_RNA)
where:
Base-Base interactions energy: -221.560
where: short stacking energy: -102.301
Base-Backbone interact. energy: -0.005
local terms energy: -89.487390
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -24.666
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: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -304.897722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.897722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.897722 (E_RNA)
where:
Base-Base interactions energy: -224.074
where: short stacking energy: -101.633
Base-Backbone interact. energy: 1.147
local terms energy: -81.970566
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -22.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -291.388736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.388736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.388736 (E_RNA)
where:
Base-Base interactions energy: -221.423
where: short stacking energy: -97.856
Base-Backbone interact. energy: -0.020
local terms energy: -69.945761
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -10.903
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: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -244.422794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.422794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.422794 (E_RNA)
where:
Base-Base interactions energy: -172.128
where: short stacking energy: -87.673
Base-Backbone interact. energy: -0.693
local terms energy: -71.601377
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -18.481
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: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -269.493139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.493139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.493139 (E_RNA)
where:
Base-Base interactions energy: -192.820
where: short stacking energy: -82.832
Base-Backbone interact. energy: -0.265
local terms energy: -76.408031
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -233.941713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.941713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.941713 (E_RNA)
where:
Base-Base interactions energy: -161.379
where: short stacking energy: -70.758
Base-Backbone interact. energy: -0.134
local terms energy: -72.429454
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -217.389217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.389217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.389217 (E_RNA)
where:
Base-Base interactions energy: -151.819
where: short stacking energy: -60.459
Base-Backbone interact. energy: 0.181
local terms energy: -65.750988
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -10.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -198.647516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.647516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.647516 (E_RNA)
where:
Base-Base interactions energy: -123.332
where: short stacking energy: -50.264
Base-Backbone interact. energy: 0.249
local terms energy: -75.564318
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -10.720
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: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -192.508891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.508891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.508891 (E_RNA)
where:
Base-Base interactions energy: -130.573
where: short stacking energy: -58.327
Base-Backbone interact. energy: 0.221
local terms energy: -62.156355
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -9.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -321.318371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.318371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.318371 (E_RNA)
where:
Base-Base interactions energy: -235.779
where: short stacking energy: -109.618
Base-Backbone interact. energy: -0.100
local terms energy: -85.439248
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -27.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -306.466938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.466938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.466938 (E_RNA)
where:
Base-Base interactions energy: -216.333
where: short stacking energy: -98.401
Base-Backbone interact. energy: -0.004
local terms energy: -90.130207
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -26.551
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: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -300.570793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.570793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.570793 (E_RNA)
where:
Base-Base interactions energy: -207.400
where: short stacking energy: -91.172
Base-Backbone interact. energy: -0.001
local terms energy: -93.170258
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -22.497
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: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -300.181554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.181554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.181554 (E_RNA)
where:
Base-Base interactions energy: -209.368
where: short stacking energy: -96.238
Base-Backbone interact. energy: -0.004
local terms energy: -90.810018
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -259.945321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.945321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.945321 (E_RNA)
where:
Base-Base interactions energy: -186.486
where: short stacking energy: -75.886
Base-Backbone interact. energy: -2.747
local terms energy: -70.711731
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -16.295
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: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -253.787707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.787707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.787707 (E_RNA)
where:
Base-Base interactions energy: -172.530
where: short stacking energy: -80.186
Base-Backbone interact. energy: 0.693
local terms energy: -81.950721
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -12.811
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: 7, replica: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -244.477654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.477654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.477654 (E_RNA)
where:
Base-Base interactions energy: -179.864
where: short stacking energy: -72.238
Base-Backbone interact. energy: -0.239
local terms energy: -64.374486
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -8.701
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: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -215.953739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.953739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.953739 (E_RNA)
where:
Base-Base interactions energy: -152.705
where: short stacking energy: -79.114
Base-Backbone interact. energy: -0.164
local terms energy: -63.084730
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -184.249229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.249229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.249229 (E_RNA)
where:
Base-Base interactions energy: -114.816
where: short stacking energy: -68.569
Base-Backbone interact. energy: 3.220
local terms energy: -72.652827
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -205.949856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.949856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.949856 (E_RNA)
where:
Base-Base interactions energy: -145.217
where: short stacking energy: -52.459
Base-Backbone interact. energy: -0.119
local terms energy: -60.613732
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -315.280941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.280941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.280941 (E_RNA)
where:
Base-Base interactions energy: -226.202
where: short stacking energy: -106.617
Base-Backbone interact. energy: -0.125
local terms energy: -88.954617
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -24.601
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: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -315.526404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.526404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.526404 (E_RNA)
where:
Base-Base interactions energy: -232.304
where: short stacking energy: -103.004
Base-Backbone interact. energy: 0.500
local terms energy: -83.722523
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -27.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -309.119254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.119254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.119254 (E_RNA)
where:
Base-Base interactions energy: -217.166
where: short stacking energy: -102.238
Base-Backbone interact. energy: -0.003
local terms energy: -91.950533
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -26.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -306.307119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.307119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.307119 (E_RNA)
where:
Base-Base interactions energy: -216.512
where: short stacking energy: -92.532
Base-Backbone interact. energy: 0.548
local terms energy: -90.343413
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -25.236
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: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -251.733119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.733119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.733119 (E_RNA)
where:
Base-Base interactions energy: -187.813
where: short stacking energy: -86.128
Base-Backbone interact. energy: 1.036
local terms energy: -64.956091
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -291.946506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.946506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.946506 (E_RNA)
where:
Base-Base interactions energy: -212.236
where: short stacking energy: -88.161
Base-Backbone interact. energy: -0.973
local terms energy: -78.738317
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -203.097989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.097989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.097989 (E_RNA)
where:
Base-Base interactions energy: -130.608
where: short stacking energy: -70.804
Base-Backbone interact. energy: 0.595
local terms energy: -73.085051
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -13.443
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: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -241.444744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.444744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.444744 (E_RNA)
where:
Base-Base interactions energy: -177.254
where: short stacking energy: -81.892
Base-Backbone interact. energy: -0.078
local terms energy: -64.112734
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -232.338025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.338025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.338025 (E_RNA)
where:
Base-Base interactions energy: -162.161
where: short stacking energy: -78.861
Base-Backbone interact. energy: -0.058
local terms energy: -70.119284
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -22.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -151.606316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.606316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.606316 (E_RNA)
where:
Base-Base interactions energy: -102.712
where: short stacking energy: -61.446
Base-Backbone interact. energy: -0.449
local terms energy: -48.444780
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -1.464
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: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -321.740032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.740032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.740032 (E_RNA)
where:
Base-Base interactions energy: -227.762
where: short stacking energy: -108.114
Base-Backbone interact. energy: -0.047
local terms energy: -93.930203
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -26.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -311.328303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.328303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.328303 (E_RNA)
where:
Base-Base interactions energy: -225.689
where: short stacking energy: -99.292
Base-Backbone interact. energy: -0.063
local terms energy: -85.576696
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -24.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -307.606454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.606454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.606454 (E_RNA)
where:
Base-Base interactions energy: -232.670
where: short stacking energy: -100.130
Base-Backbone interact. energy: -0.018
local terms energy: -74.918530
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -26.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -293.720305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.720305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.720305 (E_RNA)
where:
Base-Base interactions energy: -208.050
where: short stacking energy: -87.346
Base-Backbone interact. energy: -0.042
local terms energy: -85.627770
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -24.932
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: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -251.046973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.046973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.046973 (E_RNA)
where:
Base-Base interactions energy: -177.883
where: short stacking energy: -76.288
Base-Backbone interact. energy: -0.039
local terms energy: -73.125019
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -293.640795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.640795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.640795 (E_RNA)
where:
Base-Base interactions energy: -222.788
where: short stacking energy: -88.637
Base-Backbone interact. energy: 1.913
local terms energy: -72.765067
where:
bonds (distance) C4'-P energy: -7.898
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -15.994
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: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -210.256727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.256727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.256727 (E_RNA)
where:
Base-Base interactions energy: -145.297
where: short stacking energy: -55.961
Base-Backbone interact. energy: 0.938
local terms energy: -65.897977
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -11.276
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: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -215.334995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.334995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.334995 (E_RNA)
where:
Base-Base interactions energy: -146.522
where: short stacking energy: -67.364
Base-Backbone interact. energy: -0.138
local terms energy: -68.674682
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -14.381
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: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -237.076274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.076274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.076274 (E_RNA)
where:
Base-Base interactions energy: -172.409
where: short stacking energy: -68.907
Base-Backbone interact. energy: -0.354
local terms energy: -64.312783
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -10.748
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: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -168.071587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.071587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.071587 (E_RNA)
where:
Base-Base interactions energy: -95.270
where: short stacking energy: -41.344
Base-Backbone interact. energy: -0.121
local terms energy: -72.680725
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -13.476
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: 1, replica: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -318.907351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.907351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.907351 (E_RNA)
where:
Base-Base interactions energy: -223.447
where: short stacking energy: -97.155
Base-Backbone interact. energy: -0.009
local terms energy: -95.451757
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -25.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -303.592805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.592805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.592805 (E_RNA)
where:
Base-Base interactions energy: -223.051
where: short stacking energy: -92.771
Base-Backbone interact. energy: -0.430
local terms energy: -80.111714
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -312.205590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.205590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.205590 (E_RNA)
where:
Base-Base interactions energy: -226.681
where: short stacking energy: -99.185
Base-Backbone interact. energy: -0.005
local terms energy: -85.518633
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -24.456
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: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -297.183005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.183005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.183005 (E_RNA)
where:
Base-Base interactions energy: -215.122
where: short stacking energy: -84.109
Base-Backbone interact. energy: -0.040
local terms energy: -82.020511
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -22.526
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: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -290.585062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.585062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.585062 (E_RNA)
where:
Base-Base interactions energy: -218.067
where: short stacking energy: -86.414
Base-Backbone interact. energy: -0.404
local terms energy: -72.113942
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -238.642700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.642700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.642700 (E_RNA)
where:
Base-Base interactions energy: -170.303
where: short stacking energy: -84.923
Base-Backbone interact. energy: -0.034
local terms energy: -68.305313
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -16.797
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: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -230.708896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.708896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.708896 (E_RNA)
where:
Base-Base interactions energy: -157.645
where: short stacking energy: -69.978
Base-Backbone interact. energy: -0.932
local terms energy: -72.132270
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -13.456
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: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -230.888090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.888090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.888090 (E_RNA)
where:
Base-Base interactions energy: -158.110
where: short stacking energy: -80.397
Base-Backbone interact. energy: -1.381
local terms energy: -71.397503
where:
bonds (distance) C4'-P energy: -8.119
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -240.340199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.340199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.340199 (E_RNA)
where:
Base-Base interactions energy: -164.320
where: short stacking energy: -73.646
Base-Backbone interact. energy: -0.190
local terms energy: -75.830118
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.634
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: 10, replica: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -164.102783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.102783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.102783 (E_RNA)
where:
Base-Base interactions energy: -101.097
where: short stacking energy: -58.099
Base-Backbone interact. energy: -0.122
local terms energy: -62.883275
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -319.004370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.004370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.004370 (E_RNA)
where:
Base-Base interactions energy: -233.390
where: short stacking energy: -109.133
Base-Backbone interact. energy: -0.005
local terms energy: -85.609755
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -26.665
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: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -306.676417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.676417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.676417 (E_RNA)
where:
Base-Base interactions energy: -218.244
where: short stacking energy: -95.441
Base-Backbone interact. energy: -0.001
local terms energy: -88.431600
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -25.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -305.854380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.854380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.854380 (E_RNA)
where:
Base-Base interactions energy: -230.704
where: short stacking energy: -104.555
Base-Backbone interact. energy: -0.067
local terms energy: -75.083141
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -23.944
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: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -298.085423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.085423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.085423 (E_RNA)
where:
Base-Base interactions energy: -208.426
where: short stacking energy: -88.562
Base-Backbone interact. energy: -0.007
local terms energy: -89.652263
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -287.001843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.001843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.001843 (E_RNA)
where:
Base-Base interactions energy: -208.790
where: short stacking energy: -79.358
Base-Backbone interact. energy: -0.300
local terms energy: -77.912291
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -232.662221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.662221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.662221 (E_RNA)
where:
Base-Base interactions energy: -167.885
where: short stacking energy: -79.671
Base-Backbone interact. energy: 0.184
local terms energy: -64.961914
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -250.378644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.378644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.378644 (E_RNA)
where:
Base-Base interactions energy: -182.709
where: short stacking energy: -80.879
Base-Backbone interact. energy: -1.698
local terms energy: -65.971860
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -211.441144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.441144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.441144 (E_RNA)
where:
Base-Base interactions energy: -154.183
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.757
local terms energy: -56.501580
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -208.733000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.733000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.733000 (E_RNA)
where:
Base-Base interactions energy: -141.756
where: short stacking energy: -63.157
Base-Backbone interact. energy: -1.751
local terms energy: -65.226271
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -140.001796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.001796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.001796 (E_RNA)
where:
Base-Base interactions energy: -92.239
where: short stacking energy: -44.532
Base-Backbone interact. energy: -0.620
local terms energy: -47.143739
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -7.561
flat angles P-C4'-P energy: -4.062
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: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -318.125042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.125042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.125042 (E_RNA)
where:
Base-Base interactions energy: -225.216
where: short stacking energy: -92.916
Base-Backbone interact. energy: -0.625
local terms energy: -92.284126
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -24.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -306.687752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.687752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.687752 (E_RNA)
where:
Base-Base interactions energy: -218.701
where: short stacking energy: -94.122
Base-Backbone interact. energy: -0.304
local terms energy: -87.682826
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -23.871
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: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -300.857594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.857594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.857594 (E_RNA)
where:
Base-Base interactions energy: -217.284
where: short stacking energy: -97.962
Base-Backbone interact. energy: -0.127
local terms energy: -83.446522
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -297.513828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.513828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.513828 (E_RNA)
where:
Base-Base interactions energy: -216.397
where: short stacking energy: -95.233
Base-Backbone interact. energy: -0.374
local terms energy: -80.742304
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -20.506
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: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -285.113136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.113136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.113136 (E_RNA)
where:
Base-Base interactions energy: -209.320
where: short stacking energy: -89.384
Base-Backbone interact. energy: 0.390
local terms energy: -76.183689
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -18.524
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: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -231.193128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.193128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.193128 (E_RNA)
where:
Base-Base interactions energy: -154.286
where: short stacking energy: -76.866
Base-Backbone interact. energy: -0.105
local terms energy: -76.802048
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -17.126
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: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -240.149248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.149248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.149248 (E_RNA)
where:
Base-Base interactions energy: -170.421
where: short stacking energy: -76.371
Base-Backbone interact. energy: -0.422
local terms energy: -69.305903
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -11.139
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: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -220.619656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.619656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.619656 (E_RNA)
where:
Base-Base interactions energy: -155.440
where: short stacking energy: -61.788
Base-Backbone interact. energy: -0.203
local terms energy: -64.976484
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -10.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -215.673661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.673661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.673661 (E_RNA)
where:
Base-Base interactions energy: -149.570
where: short stacking energy: -73.236
Base-Backbone interact. energy: -0.299
local terms energy: -65.805027
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -106.508424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.508424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.508424 (E_RNA)
where:
Base-Base interactions energy: -47.203
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.138
local terms energy: -59.167916
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -318.515331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.515331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.515331 (E_RNA)
where:
Base-Base interactions energy: -231.924
where: short stacking energy: -101.949
Base-Backbone interact. energy: -0.007
local terms energy: -86.584482
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -24.878
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: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -298.830914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.830914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.830914 (E_RNA)
where:
Base-Base interactions energy: -215.008
where: short stacking energy: -91.628
Base-Backbone interact. energy: 1.032
local terms energy: -84.854816
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -306.826997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.826997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.826997 (E_RNA)
where:
Base-Base interactions energy: -217.053
where: short stacking energy: -96.928
Base-Backbone interact. energy: -0.615
local terms energy: -89.159008
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -287.906513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.906513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.906513 (E_RNA)
where:
Base-Base interactions energy: -211.532
where: short stacking energy: -86.073
Base-Backbone interact. energy: -0.125
local terms energy: -76.249297
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -12.386
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: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -299.940125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.940125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.940125 (E_RNA)
where:
Base-Base interactions energy: -212.896
where: short stacking energy: -94.796
Base-Backbone interact. energy: -0.001
local terms energy: -87.043691
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -22.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -238.757412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.757412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.757412 (E_RNA)
where:
Base-Base interactions energy: -176.276
where: short stacking energy: -74.020
Base-Backbone interact. energy: -0.085
local terms energy: -62.396296
where:
bonds (distance) C4'-P energy: -4.762
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -14.457
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: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -227.163372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.163372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.163372 (E_RNA)
where:
Base-Base interactions energy: -155.150
where: short stacking energy: -72.921
Base-Backbone interact. energy: -0.254
local terms energy: -71.758810
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -229.094644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.094644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.094644 (E_RNA)
where:
Base-Base interactions energy: -150.941
where: short stacking energy: -70.075
Base-Backbone interact. energy: -0.013
local terms energy: -78.140386
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -198.613603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.613603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.613603 (E_RNA)
where:
Base-Base interactions energy: -140.961
where: short stacking energy: -66.528
Base-Backbone interact. energy: -0.054
local terms energy: -57.598779
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -5.743
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -6.870
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: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -114.316300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.316300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.316300 (E_RNA)
where:
Base-Base interactions energy: -60.631
where: short stacking energy: -57.768
Base-Backbone interact. energy: -0.074
local terms energy: -53.610681
where:
bonds (distance) C4'-P energy: -8.080
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -306.176884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.176884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.176884 (E_RNA)
where:
Base-Base interactions energy: -217.069
where: short stacking energy: -100.497
Base-Backbone interact. energy: -0.516
local terms energy: -88.592197
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -316.665654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.665654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.665654 (E_RNA)
where:
Base-Base interactions energy: -233.892
where: short stacking energy: -97.497
Base-Backbone interact. energy: -0.176
local terms energy: -82.597233
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -24.940
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: 284
Temperature: 1.000000
Total energy: -306.584864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.584864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.584864 (E_RNA)
where:
Base-Base interactions energy: -225.802
where: short stacking energy: -105.629
Base-Backbone interact. energy: -0.323
local terms energy: -80.460219
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -288.874347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.874347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.874347 (E_RNA)
where:
Base-Base interactions energy: -207.497
where: short stacking energy: -81.985
Base-Backbone interact. energy: 0.277
local terms energy: -81.653811
where:
bonds (distance) C4'-P energy: -19.381
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -290.932429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.932429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.932429 (E_RNA)
where:
Base-Base interactions energy: -212.019
where: short stacking energy: -102.374
Base-Backbone interact. energy: 0.664
local terms energy: -79.577291
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -23.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -238.151002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.151002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.151002 (E_RNA)
where:
Base-Base interactions energy: -175.398
where: short stacking energy: -71.240
Base-Backbone interact. energy: 0.321
local terms energy: -63.074384
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -7.124
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: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -236.338250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.338250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.338250 (E_RNA)
where:
Base-Base interactions energy: -161.494
where: short stacking energy: -75.075
Base-Backbone interact. energy: -0.222
local terms energy: -74.622097
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -209.710586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.710586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.710586 (E_RNA)
where:
Base-Base interactions energy: -135.051
where: short stacking energy: -71.352
Base-Backbone interact. energy: -0.001
local terms energy: -74.658577
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -201.388007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.388007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.388007 (E_RNA)
where:
Base-Base interactions energy: -137.092
where: short stacking energy: -71.391
Base-Backbone interact. energy: -0.463
local terms energy: -63.832965
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -15.510
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: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -113.799385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.799385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.799385 (E_RNA)
where:
Base-Base interactions energy: -63.090
where: short stacking energy: -41.274
Base-Backbone interact. energy: -0.205
local terms energy: -50.504545
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -315.159187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.159187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.159187 (E_RNA)
where:
Base-Base interactions energy: -225.393
where: short stacking energy: -103.853
Base-Backbone interact. energy: -0.035
local terms energy: -89.730663
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -315.859846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.859846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.859846 (E_RNA)
where:
Base-Base interactions energy: -236.129
where: short stacking energy: -101.073
Base-Backbone interact. energy: -0.006
local terms energy: -79.725027
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -24.544
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: 285
Temperature: 1.000000
Total energy: -313.213632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.213632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.213632 (E_RNA)
where:
Base-Base interactions energy: -224.556
where: short stacking energy: -97.995
Base-Backbone interact. energy: 0.851
local terms energy: -89.508497
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -24.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -287.704164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.704164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.704164 (E_RNA)
where:
Base-Base interactions energy: -217.304
where: short stacking energy: -88.324
Base-Backbone interact. energy: 2.022
local terms energy: -72.421849
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -17.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -306.613619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.613619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.613619 (E_RNA)
where:
Base-Base interactions energy: -227.342
where: short stacking energy: -103.961
Base-Backbone interact. energy: -0.338
local terms energy: -78.933073
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -22.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -256.565567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.565567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.565567 (E_RNA)
where:
Base-Base interactions energy: -189.671
where: short stacking energy: -77.612
Base-Backbone interact. energy: 0.233
local terms energy: -67.127106
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.100
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: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -232.121894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.121894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.121894 (E_RNA)
where:
Base-Base interactions energy: -158.841
where: short stacking energy: -69.178
Base-Backbone interact. energy: 1.166
local terms energy: -74.447076
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -207.960010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.960010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.960010 (E_RNA)
where:
Base-Base interactions energy: -143.125
where: short stacking energy: -73.772
Base-Backbone interact. energy: -0.702
local terms energy: -64.133712
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -8.423
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -210.193164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.193164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.193164 (E_RNA)
where:
Base-Base interactions energy: -138.426
where: short stacking energy: -76.256
Base-Backbone interact. energy: 0.810
local terms energy: -72.576595
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -102.683312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.683312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.683312 (E_RNA)
where:
Base-Base interactions energy: -44.162
where: short stacking energy: -40.268
Base-Backbone interact. energy: -0.313
local terms energy: -58.207534
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -334.342464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.342464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.342464 (E_RNA)
where:
Base-Base interactions energy: -246.121
where: short stacking energy: -100.229
Base-Backbone interact. energy: -0.001
local terms energy: -88.220443
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -25.988
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: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -309.778527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.778527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.778527 (E_RNA)
where:
Base-Base interactions energy: -228.895
where: short stacking energy: -101.080
Base-Backbone interact. energy: -0.052
local terms energy: -80.831689
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -22.745
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: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -309.606861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.606861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.606861 (E_RNA)
where:
Base-Base interactions energy: -224.316
where: short stacking energy: -88.449
Base-Backbone interact. energy: -0.186
local terms energy: -85.104709
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -24.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -285.745333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.745333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.745333 (E_RNA)
where:
Base-Base interactions energy: -204.814
where: short stacking energy: -84.006
Base-Backbone interact. energy: -0.296
local terms energy: -80.635834
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -301.024102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.024102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.024102 (E_RNA)
where:
Base-Base interactions energy: -221.213
where: short stacking energy: -96.527
Base-Backbone interact. energy: -0.056
local terms energy: -79.755129
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -25.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -240.742920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.742920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.742920 (E_RNA)
where:
Base-Base interactions energy: -171.083
where: short stacking energy: -67.216
Base-Backbone interact. energy: -0.714
local terms energy: -68.945591
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -248.150977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.150977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.150977 (E_RNA)
where:
Base-Base interactions energy: -172.303
where: short stacking energy: -78.278
Base-Backbone interact. energy: -0.024
local terms energy: -75.823704
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -12.827
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: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -196.063368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.063368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.063368 (E_RNA)
where:
Base-Base interactions energy: -126.695
where: short stacking energy: -60.617
Base-Backbone interact. energy: -0.175
local terms energy: -69.193024
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -11.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -203.307629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.307629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.307629 (E_RNA)
where:
Base-Base interactions energy: -155.919
where: short stacking energy: -71.264
Base-Backbone interact. energy: -0.160
local terms energy: -47.228940
where:
bonds (distance) C4'-P energy: -5.894
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -6.762
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: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -106.270580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.270580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.270580 (E_RNA)
where:
Base-Base interactions energy: -48.652
where: short stacking energy: -48.652
Base-Backbone interact. energy: -0.032
local terms energy: -57.587033
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -334.183730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.183730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.183730 (E_RNA)
where:
Base-Base interactions energy: -236.972
where: short stacking energy: -103.569
Base-Backbone interact. energy: -0.009
local terms energy: -97.203540
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -26.663
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: 287
Temperature: 0.950000
Total energy: -306.355879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.355879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.355879 (E_RNA)
where:
Base-Base interactions energy: -225.827
where: short stacking energy: -109.215
Base-Backbone interact. energy: -0.797
local terms energy: -79.731154
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -22.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -310.416020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.416020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.416020 (E_RNA)
where:
Base-Base interactions energy: -228.268
where: short stacking energy: -97.130
Base-Backbone interact. energy: -0.008
local terms energy: -82.139652
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -23.336
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: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -323.531186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.531186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.531186 (E_RNA)
where:
Base-Base interactions energy: -230.839
where: short stacking energy: -100.461
Base-Backbone interact. energy: -0.002
local terms energy: -92.690273
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -19.642
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -26.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -267.775309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.775309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.775309 (E_RNA)
where:
Base-Base interactions energy: -191.135
where: short stacking energy: -89.209
Base-Backbone interact. energy: 0.453
local terms energy: -77.093282
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -22.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -243.074815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.074815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.074815 (E_RNA)
where:
Base-Base interactions energy: -176.606
where: short stacking energy: -72.782
Base-Backbone interact. energy: -0.154
local terms energy: -66.314286
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -4.173
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: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -205.293320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.293320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.293320 (E_RNA)
where:
Base-Base interactions energy: -144.233
where: short stacking energy: -65.050
Base-Backbone interact. energy: -0.285
local terms energy: -60.775679
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -11.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -210.275853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.275853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.275853 (E_RNA)
where:
Base-Base interactions energy: -153.357
where: short stacking energy: -64.263
Base-Backbone interact. energy: -0.151
local terms energy: -56.767300
where:
bonds (distance) C4'-P energy: -8.970
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -197.992414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.992414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.992414 (E_RNA)
where:
Base-Base interactions energy: -127.831
where: short stacking energy: -62.067
Base-Backbone interact. energy: -0.136
local terms energy: -70.025809
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -11.841
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: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -148.176483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.176483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.176483 (E_RNA)
where:
Base-Base interactions energy: -89.829
where: short stacking energy: -31.251
Base-Backbone interact. energy: -0.242
local terms energy: -58.105018
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -328.120528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.120528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.120528 (E_RNA)
where:
Base-Base interactions energy: -246.707
where: short stacking energy: -107.493
Base-Backbone interact. energy: -0.003
local terms energy: -81.410320
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -26.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -310.479573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.479573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.479573 (E_RNA)
where:
Base-Base interactions energy: -225.661
where: short stacking energy: -105.388
Base-Backbone interact. energy: -0.002
local terms energy: -84.815941
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -22.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -314.263823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.263823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.263823 (E_RNA)
where:
Base-Base interactions energy: -225.168
where: short stacking energy: -98.779
Base-Backbone interact. energy: -0.001
local terms energy: -89.095305
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -24.144
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: 4, replica: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -311.085607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.085607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.085607 (E_RNA)
where:
Base-Base interactions energy: -215.371
where: short stacking energy: -94.620
Base-Backbone interact. energy: -0.331
local terms energy: -95.382949
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -282.219137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.219137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.219137 (E_RNA)
where:
Base-Base interactions energy: -200.952
where: short stacking energy: -82.322
Base-Backbone interact. energy: -0.360
local terms energy: -80.906879
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -21.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -240.699802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.699802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.699802 (E_RNA)
where:
Base-Base interactions energy: -164.280
where: short stacking energy: -77.223
Base-Backbone interact. energy: -0.063
local terms energy: -76.356119
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -19.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -224.913641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.913641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.913641 (E_RNA)
where:
Base-Base interactions energy: -142.465
where: short stacking energy: -83.649
Base-Backbone interact. energy: -0.028
local terms energy: -82.420546
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -20.224
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: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -218.422705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.422705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.422705 (E_RNA)
where:
Base-Base interactions energy: -146.649
where: short stacking energy: -64.511
Base-Backbone interact. energy: -0.013
local terms energy: -71.761255
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -13.904
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: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -184.935860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.935860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.935860 (E_RNA)
where:
Base-Base interactions energy: -127.817
where: short stacking energy: -62.725
Base-Backbone interact. energy: -0.122
local terms energy: -56.997090
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -12.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -165.503661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.503661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.503661 (E_RNA)
where:
Base-Base interactions energy: -102.532
where: short stacking energy: -54.287
Base-Backbone interact. energy: -0.630
local terms energy: -62.342120
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -317.433204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.433204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.433204 (E_RNA)
where:
Base-Base interactions energy: -233.340
where: short stacking energy: -101.842
Base-Backbone interact. energy: -0.002
local terms energy: -84.091436
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -23.979
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: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -316.500636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.500636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.500636 (E_RNA)
where:
Base-Base interactions energy: -232.862
where: short stacking energy: -103.189
Base-Backbone interact. energy: -0.003
local terms energy: -83.635025
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -25.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -317.584713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.584713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.584713 (E_RNA)
where:
Base-Base interactions energy: -229.697
where: short stacking energy: -106.555
Base-Backbone interact. energy: -0.361
local terms energy: -87.526492
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -26.627
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: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -289.773351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.773351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.773351 (E_RNA)
where:
Base-Base interactions energy: -215.591
where: short stacking energy: -83.322
Base-Backbone interact. energy: -0.124
local terms energy: -74.058706
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -299.813775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.813775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.813775 (E_RNA)
where:
Base-Base interactions energy: -220.724
where: short stacking energy: -94.221
Base-Backbone interact. energy: -0.005
local terms energy: -79.084813
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -24.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -227.438685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.438685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.438685 (E_RNA)
where:
Base-Base interactions energy: -149.588
where: short stacking energy: -70.177
Base-Backbone interact. energy: -0.050
local terms energy: -77.800747
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -229.028084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.028084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.028084 (E_RNA)
where:
Base-Base interactions energy: -164.023
where: short stacking energy: -74.432
Base-Backbone interact. energy: 0.050
local terms energy: -65.055861
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -6.381
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: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -190.332638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.332638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.332638 (E_RNA)
where:
Base-Base interactions energy: -131.276
where: short stacking energy: -55.933
Base-Backbone interact. energy: -1.896
local terms energy: -57.160449
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -8.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -214.895652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.895652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.895652 (E_RNA)
where:
Base-Base interactions energy: -141.661
where: short stacking energy: -72.366
Base-Backbone interact. energy: -0.012
local terms energy: -73.223374
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -18.835
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: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -211.029879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.029879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.029879 (E_RNA)
where:
Base-Base interactions energy: -144.767
where: short stacking energy: -54.082
Base-Backbone interact. energy: 2.633
local terms energy: -68.895745
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -15.730
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: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -316.959420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.959420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.959420 (E_RNA)
where:
Base-Base interactions energy: -231.596
where: short stacking energy: -108.404
Base-Backbone interact. energy: -0.008
local terms energy: -85.354795
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -25.009
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: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -316.525562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.525562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.525562 (E_RNA)
where:
Base-Base interactions energy: -227.623
where: short stacking energy: -97.492
Base-Backbone interact. energy: -0.012
local terms energy: -88.890594
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -26.363
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: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -289.453198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.453198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.453198 (E_RNA)
where:
Base-Base interactions energy: -207.856
where: short stacking energy: -86.487
Base-Backbone interact. energy: -0.509
local terms energy: -81.088075
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -19.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -306.644915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.644915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.644915 (E_RNA)
where:
Base-Base interactions energy: -221.746
where: short stacking energy: -100.771
Base-Backbone interact. energy: -0.009
local terms energy: -84.890377
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -24.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -239.295331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.295331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.295331 (E_RNA)
where:
Base-Base interactions energy: -163.267
where: short stacking energy: -75.472
Base-Backbone interact. energy: -0.059
local terms energy: -75.968615
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -288.789093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.789093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.789093 (E_RNA)
where:
Base-Base interactions energy: -209.798
where: short stacking energy: -95.652
Base-Backbone interact. energy: -0.001
local terms energy: -78.990013
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -226.873127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.873127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.873127 (E_RNA)
where:
Base-Base interactions energy: -152.816
where: short stacking energy: -66.675
Base-Backbone interact. energy: -0.014
local terms energy: -74.043546
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -211.346960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.346960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.346960 (E_RNA)
where:
Base-Base interactions energy: -148.121
where: short stacking energy: -60.366
Base-Backbone interact. energy: -0.175
local terms energy: -63.050582
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -11.339
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: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -221.022502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.022502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.022502 (E_RNA)
where:
Base-Base interactions energy: -161.111
where: short stacking energy: -84.721
Base-Backbone interact. energy: 0.258
local terms energy: -60.168915
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -8.410
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: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -182.154654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.154654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.154654 (E_RNA)
where:
Base-Base interactions energy: -121.713
where: short stacking energy: -71.696
Base-Backbone interact. energy: -0.026
local terms energy: -60.416271
where:
bonds (distance) C4'-P energy: -7.239
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -318.477491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.477491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.477491 (E_RNA)
where:
Base-Base interactions energy: -226.867
where: short stacking energy: -100.394
Base-Backbone interact. energy: -0.001
local terms energy: -91.609805
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -24.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -297.147648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.147648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.147648 (E_RNA)
where:
Base-Base interactions energy: -223.757
where: short stacking energy: -92.293
Base-Backbone interact. energy: -0.393
local terms energy: -72.998062
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -306.516287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.516287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.516287 (E_RNA)
where:
Base-Base interactions energy: -218.883
where: short stacking energy: -90.033
Base-Backbone interact. energy: -0.507
local terms energy: -87.126641
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -22.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -301.997807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.997807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.997807 (E_RNA)
where:
Base-Base interactions energy: -215.598
where: short stacking energy: -91.127
Base-Backbone interact. energy: 0.639
local terms energy: -87.038348
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -23.847
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: 5, replica: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -235.877750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.877750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.877750 (E_RNA)
where:
Base-Base interactions energy: -160.378
where: short stacking energy: -76.842
Base-Backbone interact. energy: -0.337
local terms energy: -75.162347
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -291.211274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.211274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.211274 (E_RNA)
where:
Base-Base interactions energy: -210.884
where: short stacking energy: -98.730
Base-Backbone interact. energy: 1.357
local terms energy: -81.684430
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -10.265
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -25.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -238.241148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.241148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.241148 (E_RNA)
where:
Base-Base interactions energy: -183.854
where: short stacking energy: -72.745
Base-Backbone interact. energy: -0.023
local terms energy: -54.364430
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -0.350
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -227.585008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.585008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.585008 (E_RNA)
where:
Base-Base interactions energy: -172.827
where: short stacking energy: -81.622
Base-Backbone interact. energy: -0.145
local terms energy: -54.613077
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -7.383
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -15.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -219.569882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.569882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.569882 (E_RNA)
where:
Base-Base interactions energy: -147.290
where: short stacking energy: -72.962
Base-Backbone interact. energy: -0.470
local terms energy: -71.810260
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -186.790458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.790458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.790458 (E_RNA)
where:
Base-Base interactions energy: -125.656
where: short stacking energy: -68.561
Base-Backbone interact. energy: -0.671
local terms energy: -60.463789
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -7.302
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -13.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -316.394620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.394620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.394620 (E_RNA)
where:
Base-Base interactions energy: -221.775
where: short stacking energy: -104.105
Base-Backbone interact. energy: 0.628
local terms energy: -95.247229
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -26.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -301.329670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.329670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.329670 (E_RNA)
where:
Base-Base interactions energy: -226.114
where: short stacking energy: -83.842
Base-Backbone interact. energy: -0.227
local terms energy: -74.988600
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -306.767299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.767299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.767299 (E_RNA)
where:
Base-Base interactions energy: -230.113
where: short stacking energy: -101.854
Base-Backbone interact. energy: -0.032
local terms energy: -76.621493
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -2.129
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -302.236031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.236031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.236031 (E_RNA)
where:
Base-Base interactions energy: -216.488
where: short stacking energy: -98.839
Base-Backbone interact. energy: -0.003
local terms energy: -85.744795
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -24.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -288.734897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.734897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.734897 (E_RNA)
where:
Base-Base interactions energy: -202.893
where: short stacking energy: -83.710
Base-Backbone interact. energy: -0.795
local terms energy: -85.046919
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -15.150
tors. eta vs tors. theta energy: -24.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -226.672996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.672996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.672996 (E_RNA)
where:
Base-Base interactions energy: -155.779
where: short stacking energy: -84.038
Base-Backbone interact. energy: -0.093
local terms energy: -70.801068
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -247.006255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.006255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.006255 (E_RNA)
where:
Base-Base interactions energy: -168.528
where: short stacking energy: -70.744
Base-Backbone interact. energy: -0.650
local terms energy: -77.827547
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -15.050
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: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -210.535038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.535038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.535038 (E_RNA)
where:
Base-Base interactions energy: -143.075
where: short stacking energy: -76.303
Base-Backbone interact. energy: -0.192
local terms energy: -67.268000
where:
bonds (distance) C4'-P energy: -5.994
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -205.644133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.644133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.644133 (E_RNA)
where:
Base-Base interactions energy: -142.991
where: short stacking energy: -74.342
Base-Backbone interact. energy: -0.079
local terms energy: -62.573256
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -13.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -175.864229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.864229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.864229 (E_RNA)
where:
Base-Base interactions energy: -120.460
where: short stacking energy: -60.599
Base-Backbone interact. energy: -0.376
local terms energy: -55.028151
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -313.842271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.842271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.842271 (E_RNA)
where:
Base-Base interactions energy: -223.909
where: short stacking energy: -96.739
Base-Backbone interact. energy: -0.003
local terms energy: -89.930878
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -25.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -317.225070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.225070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.225070 (E_RNA)
where:
Base-Base interactions energy: -237.878
where: short stacking energy: -104.654
Base-Backbone interact. energy: -0.002
local terms energy: -79.344586
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -25.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -302.567038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.567038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.567038 (E_RNA)
where:
Base-Base interactions energy: -222.799
where: short stacking energy: -92.100
Base-Backbone interact. energy: 0.290
local terms energy: -80.057995
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -21.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -294.174020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.174020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.174020 (E_RNA)
where:
Base-Base interactions energy: -206.613
where: short stacking energy: -87.441
Base-Backbone interact. energy: -0.091
local terms energy: -87.470197
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -17.053
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -21.486
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: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -300.743417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.743417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.743417 (E_RNA)
where:
Base-Base interactions energy: -219.911
where: short stacking energy: -87.684
Base-Backbone interact. energy: -0.001
local terms energy: -80.831383
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -22.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -240.972655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.972655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.972655 (E_RNA)
where:
Base-Base interactions energy: -170.269
where: short stacking energy: -76.577
Base-Backbone interact. energy: -0.080
local terms energy: -70.623455
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -12.729
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: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -233.086795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.086795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.086795 (E_RNA)
where:
Base-Base interactions energy: -153.734
where: short stacking energy: -79.655
Base-Backbone interact. energy: -0.091
local terms energy: -79.260949
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -222.209271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.209271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.209271 (E_RNA)
where:
Base-Base interactions energy: -154.424
where: short stacking energy: -77.993
Base-Backbone interact. energy: -0.411
local terms energy: -67.373748
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -15.165
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: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -195.851297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.851297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.851297 (E_RNA)
where:
Base-Base interactions energy: -137.912
where: short stacking energy: -65.652
Base-Backbone interact. energy: -0.021
local terms energy: -57.918221
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -6.821
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: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -189.850736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.850736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.850736 (E_RNA)
where:
Base-Base interactions energy: -122.523
where: short stacking energy: -62.648
Base-Backbone interact. energy: -0.021
local terms energy: -67.307107
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -12.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -311.483199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.483199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.483199 (E_RNA)
where:
Base-Base interactions energy: -228.124
where: short stacking energy: -101.520
Base-Backbone interact. energy: -0.235
local terms energy: -83.124500
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -23.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -311.373551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.373551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.373551 (E_RNA)
where:
Base-Base interactions energy: -216.522
where: short stacking energy: -100.562
Base-Backbone interact. energy: -0.514
local terms energy: -94.336680
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -294.930380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.930380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.930380 (E_RNA)
where:
Base-Base interactions energy: -219.479
where: short stacking energy: -91.155
Base-Backbone interact. energy: -0.287
local terms energy: -75.164805
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -16.799
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: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -299.150659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.150659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.150659 (E_RNA)
where:
Base-Base interactions energy: -214.712
where: short stacking energy: -93.922
Base-Backbone interact. energy: 0.706
local terms energy: -85.145369
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -23.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -301.520297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.520297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.520297 (E_RNA)
where:
Base-Base interactions energy: -213.091
where: short stacking energy: -93.963
Base-Backbone interact. energy: -0.003
local terms energy: -88.426079
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -25.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -241.832566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.832566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.832566 (E_RNA)
where:
Base-Base interactions energy: -164.582
where: short stacking energy: -78.741
Base-Backbone interact. energy: -0.016
local terms energy: -77.235479
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -12.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -229.789292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.789292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.789292 (E_RNA)
where:
Base-Base interactions energy: -160.743
where: short stacking energy: -83.107
Base-Backbone interact. energy: -0.801
local terms energy: -68.245083
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -9.624
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -8.877
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: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -202.305037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.305037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.305037 (E_RNA)
where:
Base-Base interactions energy: -137.412
where: short stacking energy: -61.821
Base-Backbone interact. energy: -0.435
local terms energy: -64.457931
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -219.265277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.265277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.265277 (E_RNA)
where:
Base-Base interactions energy: -155.124
where: short stacking energy: -72.269
Base-Backbone interact. energy: -0.673
local terms energy: -63.468757
where:
bonds (distance) C4'-P energy: -7.180
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -186.365984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.365984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.365984 (E_RNA)
where:
Base-Base interactions energy: -125.273
where: short stacking energy: -55.274
Base-Backbone interact. energy: -0.984
local terms energy: -60.109127
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -6.525
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: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -313.706534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.706534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.706534 (E_RNA)
where:
Base-Base interactions energy: -224.828
where: short stacking energy: -99.483
Base-Backbone interact. energy: -0.011
local terms energy: -88.867554
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -296.357131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.357131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.357131 (E_RNA)
where:
Base-Base interactions energy: -218.970
where: short stacking energy: -93.835
Base-Backbone interact. energy: 1.462
local terms energy: -78.849420
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -16.607
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: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -307.291085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.291085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.291085 (E_RNA)
where:
Base-Base interactions energy: -216.611
where: short stacking energy: -99.982
Base-Backbone interact. energy: -0.046
local terms energy: -90.633750
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -24.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -299.656072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.656072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.656072 (E_RNA)
where:
Base-Base interactions energy: -214.338
where: short stacking energy: -99.490
Base-Backbone interact. energy: -0.034
local terms energy: -85.283883
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -22.947
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: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -305.698227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.698227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.698227 (E_RNA)
where:
Base-Base interactions energy: -218.465
where: short stacking energy: -93.630
Base-Backbone interact. energy: -0.051
local terms energy: -87.182422
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -24.494
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: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -247.999217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.999217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.999217 (E_RNA)
where:
Base-Base interactions energy: -168.784
where: short stacking energy: -89.911
Base-Backbone interact. energy: -0.091
local terms energy: -79.124262
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -229.149516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.149516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.149516 (E_RNA)
where:
Base-Base interactions energy: -158.490
where: short stacking energy: -69.549
Base-Backbone interact. energy: -0.114
local terms energy: -70.545947
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -12.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -197.750965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.750965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.750965 (E_RNA)
where:
Base-Base interactions energy: -137.792
where: short stacking energy: -56.104
Base-Backbone interact. energy: -0.469
local terms energy: -59.489757
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -200.923552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.923552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.923552 (E_RNA)
where:
Base-Base interactions energy: -142.075
where: short stacking energy: -55.816
Base-Backbone interact. energy: -0.789
local terms energy: -58.059971
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -192.527235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.527235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.527235 (E_RNA)
where:
Base-Base interactions energy: -130.049
where: short stacking energy: -56.202
Base-Backbone interact. energy: -0.084
local terms energy: -62.393889
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -9.921
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: 296
Temperature: 0.900000
Total energy: -314.366293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.366293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.366293 (E_RNA)
where:
Base-Base interactions energy: -222.987
where: short stacking energy: -97.519
Base-Backbone interact. energy: -0.788
local terms energy: -90.590744
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -23.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -298.624477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.624477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.624477 (E_RNA)
where:
Base-Base interactions energy: -217.336
where: short stacking energy: -86.867
Base-Backbone interact. energy: 0.975
local terms energy: -82.263865
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -321.867349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.867349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.867349 (E_RNA)
where:
Base-Base interactions energy: -237.022
where: short stacking energy: -107.562
Base-Backbone interact. energy: -0.048
local terms energy: -84.797330
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -25.245
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: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -289.574500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.574500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.574500 (E_RNA)
where:
Base-Base interactions energy: -211.066
where: short stacking energy: -80.983
Base-Backbone interact. energy: -0.439
local terms energy: -78.069167
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -23.022
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: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -298.167045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.167045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.167045 (E_RNA)
where:
Base-Base interactions energy: -206.814
where: short stacking energy: -103.405
Base-Backbone interact. energy: -0.149
local terms energy: -91.204254
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -24.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -249.771393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.771393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.771393 (E_RNA)
where:
Base-Base interactions energy: -170.928
where: short stacking energy: -89.122
Base-Backbone interact. energy: -0.508
local terms energy: -78.335632
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -23.782
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: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -235.005191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.005191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.005191 (E_RNA)
where:
Base-Base interactions energy: -165.657
where: short stacking energy: -82.928
Base-Backbone interact. energy: -0.454
local terms energy: -68.894174
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -17.559
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: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -195.719190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.719190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.719190 (E_RNA)
where:
Base-Base interactions energy: -124.314
where: short stacking energy: -65.393
Base-Backbone interact. energy: -0.953
local terms energy: -70.452750
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -11.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -186.158593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.158593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.158593 (E_RNA)
where:
Base-Base interactions energy: -112.691
where: short stacking energy: -54.691
Base-Backbone interact. energy: -0.512
local terms energy: -72.955093
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -10.362
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: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -184.503571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.503571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.503571 (E_RNA)
where:
Base-Base interactions energy: -115.460
where: short stacking energy: -45.115
Base-Backbone interact. energy: -0.218
local terms energy: -68.826286
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -11.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -306.064036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.064036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.064036 (E_RNA)
where:
Base-Base interactions energy: -220.178
where: short stacking energy: -102.926
Base-Backbone interact. energy: 0.661
local terms energy: -86.546951
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -25.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -317.519554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.519554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.519554 (E_RNA)
where:
Base-Base interactions energy: -230.094
where: short stacking energy: -105.537
Base-Backbone interact. energy: -0.012
local terms energy: -87.413646
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -27.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -291.168507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.168507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.168507 (E_RNA)
where:
Base-Base interactions energy: -207.264
where: short stacking energy: -85.360
Base-Backbone interact. energy: -0.449
local terms energy: -83.455539
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -300.986797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.986797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.986797 (E_RNA)
where:
Base-Base interactions energy: -217.372
where: short stacking energy: -95.435
Base-Backbone interact. energy: 0.585
local terms energy: -84.199468
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -24.818
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: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -303.030383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.030383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.030383 (E_RNA)
where:
Base-Base interactions energy: -231.676
where: short stacking energy: -103.612
Base-Backbone interact. energy: -0.000
local terms energy: -71.354623
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -24.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -232.763799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.763799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.763799 (E_RNA)
where:
Base-Base interactions energy: -157.223
where: short stacking energy: -80.477
Base-Backbone interact. energy: -0.753
local terms energy: -74.787852
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -229.346709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.346709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.346709 (E_RNA)
where:
Base-Base interactions energy: -164.155
where: short stacking energy: -75.462
Base-Backbone interact. energy: -0.463
local terms energy: -64.728623
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -205.310179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.310179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.310179 (E_RNA)
where:
Base-Base interactions energy: -137.574
where: short stacking energy: -60.054
Base-Backbone interact. energy: -0.162
local terms energy: -67.574636
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -15.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -195.492542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.492542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.492542 (E_RNA)
where:
Base-Base interactions energy: -134.605
where: short stacking energy: -74.089
Base-Backbone interact. energy: -0.096
local terms energy: -60.791912
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -14.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -178.568215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.568215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.568215 (E_RNA)
where:
Base-Base interactions energy: -117.722
where: short stacking energy: -64.997
Base-Backbone interact. energy: 0.723
local terms energy: -61.569779
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -12.636
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: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -328.682406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.682406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.682406 (E_RNA)
where:
Base-Base interactions energy: -237.694
where: short stacking energy: -109.459
Base-Backbone interact. energy: 0.033
local terms energy: -91.021082
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -318.464139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.464139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.464139 (E_RNA)
where:
Base-Base interactions energy: -231.227
where: short stacking energy: -101.758
Base-Backbone interact. energy: -0.002
local terms energy: -87.234913
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -25.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -308.627382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.627382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.627382 (E_RNA)
where:
Base-Base interactions energy: -227.263
where: short stacking energy: -98.642
Base-Backbone interact. energy: -0.001
local terms energy: -81.363817
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -24.875
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: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -291.160950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.160950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.160950 (E_RNA)
where:
Base-Base interactions energy: -213.770
where: short stacking energy: -95.132
Base-Backbone interact. energy: -0.207
local terms energy: -77.184516
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -14.498
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: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -249.291154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.291154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.291154 (E_RNA)
where:
Base-Base interactions energy: -167.293
where: short stacking energy: -91.405
Base-Backbone interact. energy: -0.001
local terms energy: -81.997221
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -291.241390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.241390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.241390 (E_RNA)
where:
Base-Base interactions energy: -205.497
where: short stacking energy: -89.069
Base-Backbone interact. energy: -0.338
local terms energy: -85.405677
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -22.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -211.242235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.242235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.242235 (E_RNA)
where:
Base-Base interactions energy: -139.745
where: short stacking energy: -67.319
Base-Backbone interact. energy: 0.272
local terms energy: -71.768872
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -242.314842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.314842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.314842 (E_RNA)
where:
Base-Base interactions energy: -165.292
where: short stacking energy: -72.463
Base-Backbone interact. energy: -0.140
local terms energy: -76.883221
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -17.735
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: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -189.506947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.506947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.506947 (E_RNA)
where:
Base-Base interactions energy: -130.711
where: short stacking energy: -58.145
Base-Backbone interact. energy: -0.040
local terms energy: -58.755960
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -208.871017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.871017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.871017 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -68.796
Base-Backbone interact. energy: 0.688
local terms energy: -79.992354
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -325.512987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.512987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.512987 (E_RNA)
where:
Base-Base interactions energy: -233.566
where: short stacking energy: -110.159
Base-Backbone interact. energy: -0.475
local terms energy: -91.471062
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -26.024
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: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -316.994021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.994021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.994021 (E_RNA)
where:
Base-Base interactions energy: -227.113
where: short stacking energy: -100.323
Base-Backbone interact. energy: -0.003
local terms energy: -89.877401
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -25.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -311.204036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.204036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.204036 (E_RNA)
where:
Base-Base interactions energy: -226.189
where: short stacking energy: -98.089
Base-Backbone interact. energy: -0.002
local terms energy: -85.013420
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -26.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -287.379773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.379773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.379773 (E_RNA)
where:
Base-Base interactions energy: -209.634
where: short stacking energy: -88.229
Base-Backbone interact. energy: -0.325
local terms energy: -77.420987
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -13.043
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: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -253.281442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.281442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.281442 (E_RNA)
where:
Base-Base interactions energy: -180.064
where: short stacking energy: -84.833
Base-Backbone interact. energy: -0.433
local terms energy: -72.784741
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -9.066
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: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -294.906509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.906509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.906509 (E_RNA)
where:
Base-Base interactions energy: -218.211
where: short stacking energy: -99.218
Base-Backbone interact. energy: -0.005
local terms energy: -76.690352
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -23.122
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: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -228.155268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.155268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.155268 (E_RNA)
where:
Base-Base interactions energy: -161.847
where: short stacking energy: -69.681
Base-Backbone interact. energy: -1.306
local terms energy: -65.002546
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -14.389
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: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -238.027032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.027032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.027032 (E_RNA)
where:
Base-Base interactions energy: -173.679
where: short stacking energy: -70.772
Base-Backbone interact. energy: -0.034
local terms energy: -64.314637
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -8.070
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -202.821583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.821583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.821583 (E_RNA)
where:
Base-Base interactions energy: -132.917
where: short stacking energy: -59.928
Base-Backbone interact. energy: 1.376
local terms energy: -71.280462
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -12.996
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: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -186.209637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.209637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.209637 (E_RNA)
where:
Base-Base interactions energy: -125.404
where: short stacking energy: -69.739
Base-Backbone interact. energy: -0.041
local terms energy: -60.764627
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -312.837995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.837995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.837995 (E_RNA)
where:
Base-Base interactions energy: -221.058
where: short stacking energy: -100.223
Base-Backbone interact. energy: -0.003
local terms energy: -91.776662
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -25.891
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: 300
Temperature: 0.950000
Total energy: -321.294729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.294729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.294729 (E_RNA)
where:
Base-Base interactions energy: -233.730
where: short stacking energy: -103.181
Base-Backbone interact. energy: -0.293
local terms energy: -87.272201
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -25.021
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: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -307.540578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.540578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.540578 (E_RNA)
where:
Base-Base interactions energy: -224.209
where: short stacking energy: -92.114
Base-Backbone interact. energy: -0.406
local terms energy: -82.925825
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -20.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -300.558616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.558616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.558616 (E_RNA)
where:
Base-Base interactions energy: -220.061
where: short stacking energy: -89.068
Base-Backbone interact. energy: -0.034
local terms energy: -80.462974
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -21.947
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: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -291.659382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.659382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.659382 (E_RNA)
where:
Base-Base interactions energy: -205.134
where: short stacking energy: -84.337
Base-Backbone interact. energy: -0.007
local terms energy: -86.517653
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -245.360655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.360655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.360655 (E_RNA)
where:
Base-Base interactions energy: -167.936
where: short stacking energy: -88.541
Base-Backbone interact. energy: -0.062
local terms energy: -77.362678
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -19.506
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: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -248.594421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.594421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.594421 (E_RNA)
where:
Base-Base interactions energy: -182.772
where: short stacking energy: -66.427
Base-Backbone interact. energy: -0.753
local terms energy: -65.068890
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -12.079
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: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -283.330038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.330038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.330038 (E_RNA)
where:
Base-Base interactions energy: -213.506
where: short stacking energy: -94.801
Base-Backbone interact. energy: -0.007
local terms energy: -69.816602
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -22.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -203.469135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.469135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.469135 (E_RNA)
where:
Base-Base interactions energy: -132.700
where: short stacking energy: -58.957
Base-Backbone interact. energy: -0.167
local terms energy: -70.602106
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -10.114
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -220.866645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.866645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.866645 (E_RNA)
where:
Base-Base interactions energy: -154.540
where: short stacking energy: -54.708
Base-Backbone interact. energy: 0.191
local terms energy: -66.517482
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -11.189
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: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -320.089863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.089863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.089863 (E_RNA)
where:
Base-Base interactions energy: -234.576
where: short stacking energy: -93.230
Base-Backbone interact. energy: -0.125
local terms energy: -85.389376
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -26.030
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: 301
Temperature: 0.950000
Total energy: -322.305171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.305171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.305171 (E_RNA)
where:
Base-Base interactions energy: -238.021
where: short stacking energy: -102.002
Base-Backbone interact. energy: -0.471
local terms energy: -83.812835
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -24.217
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: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -302.722388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.722388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.722388 (E_RNA)
where:
Base-Base interactions energy: -221.334
where: short stacking energy: -96.466
Base-Backbone interact. energy: -0.944
local terms energy: -80.443777
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -19.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -301.741474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.741474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.741474 (E_RNA)
where:
Base-Base interactions energy: -225.378
where: short stacking energy: -98.016
Base-Backbone interact. energy: -0.028
local terms energy: -76.335658
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -299.094525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.094525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.094525 (E_RNA)
where:
Base-Base interactions energy: -219.840
where: short stacking energy: -96.139
Base-Backbone interact. energy: -0.001
local terms energy: -79.253196
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -25.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -257.150013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.150013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.150013 (E_RNA)
where:
Base-Base interactions energy: -175.219
where: short stacking energy: -71.858
Base-Backbone interact. energy: -0.610
local terms energy: -81.320920
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -231.787708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.787708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.787708 (E_RNA)
where:
Base-Base interactions energy: -161.440
where: short stacking energy: -76.004
Base-Backbone interact. energy: -0.023
local terms energy: -70.324959
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -276.060852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.060852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.060852 (E_RNA)
where:
Base-Base interactions energy: -195.278
where: short stacking energy: -92.783
Base-Backbone interact. energy: 0.116
local terms energy: -80.898909
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -208.604425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.604425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.604425 (E_RNA)
where:
Base-Base interactions energy: -132.833
where: short stacking energy: -74.152
Base-Backbone interact. energy: 0.228
local terms energy: -75.999006
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -209.936210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.936210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.936210 (E_RNA)
where:
Base-Base interactions energy: -148.346
where: short stacking energy: -54.037
Base-Backbone interact. energy: -1.311
local terms energy: -60.279620
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -323.236001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.236001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.236001 (E_RNA)
where:
Base-Base interactions energy: -237.371
where: short stacking energy: -104.084
Base-Backbone interact. energy: -0.474
local terms energy: -85.390799
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -23.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -307.218663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.218663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.218663 (E_RNA)
where:
Base-Base interactions energy: -218.590
where: short stacking energy: -96.982
Base-Backbone interact. energy: -0.000
local terms energy: -88.628032
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -22.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -311.585905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.585905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.585905 (E_RNA)
where:
Base-Base interactions energy: -222.369
where: short stacking energy: -101.552
Base-Backbone interact. energy: -0.044
local terms energy: -89.172336
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -23.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -290.751700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.751700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.751700 (E_RNA)
where:
Base-Base interactions energy: -208.583
where: short stacking energy: -95.578
Base-Backbone interact. energy: -0.088
local terms energy: -82.080734
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -19.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -302.129212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.129212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.129212 (E_RNA)
where:
Base-Base interactions energy: -222.540
where: short stacking energy: -97.705
Base-Backbone interact. energy: -0.001
local terms energy: -79.588809
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -25.556
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: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -246.410899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.410899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.410899 (E_RNA)
where:
Base-Base interactions energy: -169.876
where: short stacking energy: -72.075
Base-Backbone interact. energy: -0.034
local terms energy: -76.500425
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -280.990860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.990860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.990860 (E_RNA)
where:
Base-Base interactions energy: -199.144
where: short stacking energy: -90.614
Base-Backbone interact. energy: -0.001
local terms energy: -81.846010
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -22.465
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: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -239.698258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.698258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.698258 (E_RNA)
where:
Base-Base interactions energy: -163.495
where: short stacking energy: -81.031
Base-Backbone interact. energy: -0.721
local terms energy: -75.482274
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -223.801545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.801545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.801545 (E_RNA)
where:
Base-Base interactions energy: -154.395
where: short stacking energy: -53.474
Base-Backbone interact. energy: -0.657
local terms energy: -68.749781
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -8.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -190.096392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.096392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.096392 (E_RNA)
where:
Base-Base interactions energy: -134.481
where: short stacking energy: -61.358
Base-Backbone interact. energy: -0.729
local terms energy: -54.886114
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -12.212
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: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -320.155181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.155181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.155181 (E_RNA)
where:
Base-Base interactions energy: -236.777
where: short stacking energy: -96.433
Base-Backbone interact. energy: -0.247
local terms energy: -83.130216
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -26.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -318.960134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.960134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.960134 (E_RNA)
where:
Base-Base interactions energy: -235.854
where: short stacking energy: -99.125
Base-Backbone interact. energy: -0.003
local terms energy: -83.102736
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -298.244223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.244223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.244223 (E_RNA)
where:
Base-Base interactions energy: -215.947
where: short stacking energy: -99.103
Base-Backbone interact. energy: 0.366
local terms energy: -82.663312
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -23.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -303.691018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.691018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.691018 (E_RNA)
where:
Base-Base interactions energy: -218.137
where: short stacking energy: -100.173
Base-Backbone interact. energy: -0.292
local terms energy: -85.261503
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -24.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -291.131974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.131974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.131974 (E_RNA)
where:
Base-Base interactions energy: -214.101
where: short stacking energy: -85.599
Base-Backbone interact. energy: -1.430
local terms energy: -75.600814
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -285.087898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.087898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.087898 (E_RNA)
where:
Base-Base interactions energy: -201.340
where: short stacking energy: -86.082
Base-Backbone interact. energy: -0.092
local terms energy: -83.655918
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -23.833
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: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -253.148060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.148060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.148060 (E_RNA)
where:
Base-Base interactions energy: -172.616
where: short stacking energy: -71.376
Base-Backbone interact. energy: -0.382
local terms energy: -80.149345
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -20.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -226.133314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.133314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.133314 (E_RNA)
where:
Base-Base interactions energy: -159.169
where: short stacking energy: -75.403
Base-Backbone interact. energy: -0.242
local terms energy: -66.721984
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -223.895532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.895532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.895532 (E_RNA)
where:
Base-Base interactions energy: -159.086
where: short stacking energy: -72.666
Base-Backbone interact. energy: -0.122
local terms energy: -64.688237
where:
bonds (distance) C4'-P energy: -7.655
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -193.496688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.496688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.496688 (E_RNA)
where:
Base-Base interactions energy: -131.264
where: short stacking energy: -69.237
Base-Backbone interact. energy: -0.141
local terms energy: -62.092359
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -11.012
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: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -317.882720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.882720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.882720 (E_RNA)
where:
Base-Base interactions energy: -232.959
where: short stacking energy: -108.756
Base-Backbone interact. energy: 1.325
local terms energy: -86.249006
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -25.761
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: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -317.965463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.965463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.965463 (E_RNA)
where:
Base-Base interactions energy: -229.781
where: short stacking energy: -103.734
Base-Backbone interact. energy: -0.013
local terms energy: -88.171176
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -24.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -304.035699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.035699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.035699 (E_RNA)
where:
Base-Base interactions energy: -212.764
where: short stacking energy: -92.800
Base-Backbone interact. energy: -0.015
local terms energy: -91.255977
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -25.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -305.007091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.007091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.007091 (E_RNA)
where:
Base-Base interactions energy: -220.121
where: short stacking energy: -98.551
Base-Backbone interact. energy: -0.136
local terms energy: -84.750433
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -297.132107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.132107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.132107 (E_RNA)
where:
Base-Base interactions energy: -211.395
where: short stacking energy: -93.883
Base-Backbone interact. energy: -0.280
local terms energy: -85.457400
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -25.461
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: 304
Temperature: 1.150000
Total energy: -294.096608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.096608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.096608 (E_RNA)
where:
Base-Base interactions energy: -217.669
where: short stacking energy: -94.334
Base-Backbone interact. energy: -0.806
local terms energy: -75.621877
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -18.341
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: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -230.232725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.232725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.232725 (E_RNA)
where:
Base-Base interactions energy: -145.144
where: short stacking energy: -66.016
Base-Backbone interact. energy: -0.868
local terms energy: -84.221119
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -10.478
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: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -240.642885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.642885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.642885 (E_RNA)
where:
Base-Base interactions energy: -175.417
where: short stacking energy: -85.433
Base-Backbone interact. energy: 1.232
local terms energy: -66.458694
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -6.866
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -197.210290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.210290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.210290 (E_RNA)
where:
Base-Base interactions energy: -137.231
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.041
local terms energy: -59.937609
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -12.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -177.312221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.312221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.312221 (E_RNA)
where:
Base-Base interactions energy: -118.763
where: short stacking energy: -59.671
Base-Backbone interact. energy: -0.147
local terms energy: -58.402575
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -318.377398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.377398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.377398 (E_RNA)
where:
Base-Base interactions energy: -228.325
where: short stacking energy: -102.455
Base-Backbone interact. energy: -0.123
local terms energy: -89.929313
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -28.427
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: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -319.503473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.503473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.503473 (E_RNA)
where:
Base-Base interactions energy: -235.210
where: short stacking energy: -103.775
Base-Backbone interact. energy: -0.311
local terms energy: -83.982440
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -305.165486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.165486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.165486 (E_RNA)
where:
Base-Base interactions energy: -216.490
where: short stacking energy: -101.013
Base-Backbone interact. energy: 0.606
local terms energy: -89.281330
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -24.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -308.138194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.138194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.138194 (E_RNA)
where:
Base-Base interactions energy: -222.428
where: short stacking energy: -98.387
Base-Backbone interact. energy: -0.002
local terms energy: -85.708315
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -305.713999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.713999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.713999 (E_RNA)
where:
Base-Base interactions energy: -215.744
where: short stacking energy: -96.702
Base-Backbone interact. energy: -0.053
local terms energy: -89.917395
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -281.700250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.700250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.700250 (E_RNA)
where:
Base-Base interactions energy: -204.184
where: short stacking energy: -87.092
Base-Backbone interact. energy: 1.014
local terms energy: -78.530558
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -16.952
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: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -207.600833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.600833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.600833 (E_RNA)
where:
Base-Base interactions energy: -134.094
where: short stacking energy: -77.080
Base-Backbone interact. energy: -0.239
local terms energy: -73.267901
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -251.958367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.958367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.958367 (E_RNA)
where:
Base-Base interactions energy: -186.327
where: short stacking energy: -80.862
Base-Backbone interact. energy: -0.164
local terms energy: -65.466923
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -1.797
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -214.209411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.209411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.209411 (E_RNA)
where:
Base-Base interactions energy: -150.440
where: short stacking energy: -80.735
Base-Backbone interact. energy: -0.602
local terms energy: -63.166811
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -173.379808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.379808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.379808 (E_RNA)
where:
Base-Base interactions energy: -112.942
where: short stacking energy: -60.913
Base-Backbone interact. energy: -0.359
local terms energy: -60.078786
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -11.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -321.277080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.277080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.277080 (E_RNA)
where:
Base-Base interactions energy: -234.454
where: short stacking energy: -103.633
Base-Backbone interact. energy: -0.041
local terms energy: -86.781917
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -26.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -304.855309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.855309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.855309 (E_RNA)
where:
Base-Base interactions energy: -231.720
where: short stacking energy: -89.185
Base-Backbone interact. energy: -0.212
local terms energy: -72.923216
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -300.230924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.230924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.230924 (E_RNA)
where:
Base-Base interactions energy: -221.058
where: short stacking energy: -93.383
Base-Backbone interact. energy: -0.096
local terms energy: -79.076708
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -302.200407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.200407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.200407 (E_RNA)
where:
Base-Base interactions energy: -220.767
where: short stacking energy: -103.799
Base-Backbone interact. energy: -0.633
local terms energy: -80.800484
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -305.716511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.716511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.716511 (E_RNA)
where:
Base-Base interactions energy: -219.799
where: short stacking energy: -96.691
Base-Backbone interact. energy: -0.010
local terms energy: -85.907172
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -24.967
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: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -262.466249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.466249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.466249 (E_RNA)
where:
Base-Base interactions energy: -190.673
where: short stacking energy: -82.897
Base-Backbone interact. energy: -0.185
local terms energy: -71.608356
where:
bonds (distance) C4'-P energy: -6.816
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -251.844053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.844053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.844053 (E_RNA)
where:
Base-Base interactions energy: -172.361
where: short stacking energy: -83.112
Base-Backbone interact. energy: 1.204
local terms energy: -80.687078
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -11.118
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: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -214.937628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.937628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.937628 (E_RNA)
where:
Base-Base interactions energy: -154.754
where: short stacking energy: -78.091
Base-Backbone interact. energy: -0.470
local terms energy: -59.713558
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -195.701000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.701000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.701000 (E_RNA)
where:
Base-Base interactions energy: -142.594
where: short stacking energy: -78.045
Base-Backbone interact. energy: 2.125
local terms energy: -55.231916
where:
bonds (distance) C4'-P energy: -7.785
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -12.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -199.472456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.472456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.472456 (E_RNA)
where:
Base-Base interactions energy: -134.420
where: short stacking energy: -71.288
Base-Backbone interact. energy: -0.060
local terms energy: -64.992820
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -13.126
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: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -320.716828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.716828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.716828 (E_RNA)
where:
Base-Base interactions energy: -228.158
where: short stacking energy: -107.222
Base-Backbone interact. energy: -0.002
local terms energy: -92.555978
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -23.867
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: 307
Temperature: 0.950000
Total energy: -320.161708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.161708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.161708 (E_RNA)
where:
Base-Base interactions energy: -232.928
where: short stacking energy: -101.841
Base-Backbone interact. energy: -0.013
local terms energy: -87.220813
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -27.379
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: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -318.132146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.132146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.132146 (E_RNA)
where:
Base-Base interactions energy: -235.515
where: short stacking energy: -99.155
Base-Backbone interact. energy: -0.005
local terms energy: -82.612681
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -24.550
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: 307
Temperature: 1.050000
Total energy: -300.175936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.175936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.175936 (E_RNA)
where:
Base-Base interactions energy: -221.040
where: short stacking energy: -100.063
Base-Backbone interact. energy: -0.007
local terms energy: -79.129819
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -24.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -293.444834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.444834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.444834 (E_RNA)
where:
Base-Base interactions energy: -205.115
where: short stacking energy: -96.022
Base-Backbone interact. energy: 1.407
local terms energy: -89.737350
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -248.405704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.405704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.405704 (E_RNA)
where:
Base-Base interactions energy: -176.364
where: short stacking energy: -71.242
Base-Backbone interact. energy: -0.142
local terms energy: -71.899679
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -12.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -255.145579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.145579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.145579 (E_RNA)
where:
Base-Base interactions energy: -190.982
where: short stacking energy: -73.009
Base-Backbone interact. energy: -0.289
local terms energy: -63.874011
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -195.211220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.211220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.211220 (E_RNA)
where:
Base-Base interactions energy: -132.468
where: short stacking energy: -70.014
Base-Backbone interact. energy: -0.690
local terms energy: -62.054089
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -13.334
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: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -198.018904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.018904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.018904 (E_RNA)
where:
Base-Base interactions energy: -129.565
where: short stacking energy: -64.083
Base-Backbone interact. energy: -0.237
local terms energy: -68.216725
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -202.521971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.521971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.521971 (E_RNA)
where:
Base-Base interactions energy: -137.752
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.582
local terms energy: -64.187907
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -312.619470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.619470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.619470 (E_RNA)
where:
Base-Base interactions energy: -223.192
where: short stacking energy: -100.311
Base-Backbone interact. energy: -0.059
local terms energy: -89.368727
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -26.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -303.937754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.937754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.937754 (E_RNA)
where:
Base-Base interactions energy: -212.799
where: short stacking energy: -91.158
Base-Backbone interact. energy: -0.324
local terms energy: -90.814567
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -24.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -307.292888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.292888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.292888 (E_RNA)
where:
Base-Base interactions energy: -223.404
where: short stacking energy: -98.027
Base-Backbone interact. energy: -0.001
local terms energy: -83.887877
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -23.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -309.954496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.954496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.954496 (E_RNA)
where:
Base-Base interactions energy: -225.105
where: short stacking energy: -95.275
Base-Backbone interact. energy: -0.037
local terms energy: -84.812627
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -23.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -249.629496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.629496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.629496 (E_RNA)
where:
Base-Base interactions energy: -183.675
where: short stacking energy: -72.478
Base-Backbone interact. energy: -0.100
local terms energy: -65.854510
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -4.812
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -286.924062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.924062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.924062 (E_RNA)
where:
Base-Base interactions energy: -210.485
where: short stacking energy: -95.296
Base-Backbone interact. energy: -0.002
local terms energy: -76.436812
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -207.237976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.237976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.237976 (E_RNA)
where:
Base-Base interactions energy: -135.337
where: short stacking energy: -75.361
Base-Backbone interact. energy: -0.332
local terms energy: -71.568900
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -10.217
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: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -201.384358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.384358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.384358 (E_RNA)
where:
Base-Base interactions energy: -132.274
where: short stacking energy: -72.107
Base-Backbone interact. energy: -0.036
local terms energy: -69.074251
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -8.774
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: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -198.732478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.732478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.732478 (E_RNA)
where:
Base-Base interactions energy: -135.477
where: short stacking energy: -69.183
Base-Backbone interact. energy: -0.007
local terms energy: -63.248363
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -7.657
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: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -185.938454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.938454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.938454 (E_RNA)
where:
Base-Base interactions energy: -123.147
where: short stacking energy: -68.012
Base-Backbone interact. energy: 2.850
local terms energy: -65.641319
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -313.398746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.398746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.398746 (E_RNA)
where:
Base-Base interactions energy: -219.056
where: short stacking energy: -100.461
Base-Backbone interact. energy: 0.058
local terms energy: -94.400393
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -24.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -315.888396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.888396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.888396 (E_RNA)
where:
Base-Base interactions energy: -229.824
where: short stacking energy: -96.625
Base-Backbone interact. energy: -0.004
local terms energy: -86.060026
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -23.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -308.590293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.590293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.590293 (E_RNA)
where:
Base-Base interactions energy: -216.815
where: short stacking energy: -98.969
Base-Backbone interact. energy: -0.001
local terms energy: -91.774666
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -25.143
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: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -296.651649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.651649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.651649 (E_RNA)
where:
Base-Base interactions energy: -217.572
where: short stacking energy: -88.672
Base-Backbone interact. energy: -0.255
local terms energy: -78.824458
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -27.031
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: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -251.930249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.930249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.930249 (E_RNA)
where:
Base-Base interactions energy: -181.673
where: short stacking energy: -78.769
Base-Backbone interact. energy: -0.039
local terms energy: -70.218451
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -291.707210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.707210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.707210 (E_RNA)
where:
Base-Base interactions energy: -207.135
where: short stacking energy: -96.298
Base-Backbone interact. energy: -0.065
local terms energy: -84.506366
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -211.895414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.895414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.895414 (E_RNA)
where:
Base-Base interactions energy: -137.828
where: short stacking energy: -79.561
Base-Backbone interact. energy: -0.449
local terms energy: -73.618381
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -15.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -208.369690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.369690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.369690 (E_RNA)
where:
Base-Base interactions energy: -141.427
where: short stacking energy: -57.165
Base-Backbone interact. energy: -0.231
local terms energy: -66.711627
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -205.527581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.527581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.527581 (E_RNA)
where:
Base-Base interactions energy: -131.625
where: short stacking energy: -72.572
Base-Backbone interact. energy: -0.005
local terms energy: -73.897302
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -15.216
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: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -174.877419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.877419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.877419 (E_RNA)
where:
Base-Base interactions energy: -115.962
where: short stacking energy: -54.031
Base-Backbone interact. energy: -0.190
local terms energy: -58.725699
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -6.105
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: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -316.187648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.187648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.187648 (E_RNA)
where:
Base-Base interactions energy: -225.381
where: short stacking energy: -104.430
Base-Backbone interact. energy: 0.157
local terms energy: -90.963718
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -22.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -311.100526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.100526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.100526 (E_RNA)
where:
Base-Base interactions energy: -223.837
where: short stacking energy: -102.723
Base-Backbone interact. energy: -0.223
local terms energy: -87.040176
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -25.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -311.191874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.191874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.191874 (E_RNA)
where:
Base-Base interactions energy: -224.403
where: short stacking energy: -104.397
Base-Backbone interact. energy: 0.350
local terms energy: -87.139101
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -25.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -294.488282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.488282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.488282 (E_RNA)
where:
Base-Base interactions energy: -209.535
where: short stacking energy: -95.878
Base-Backbone interact. energy: -0.034
local terms energy: -84.919576
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -23.233
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: 5, replica: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -286.161030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.161030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.161030 (E_RNA)
where:
Base-Base interactions energy: -199.508
where: short stacking energy: -84.221
Base-Backbone interact. energy: -0.200
local terms energy: -86.452739
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -23.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -251.588571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.588571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.588571 (E_RNA)
where:
Base-Base interactions energy: -168.696
where: short stacking energy: -77.706
Base-Backbone interact. energy: -0.072
local terms energy: -82.820544
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -14.980
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: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -226.074845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.074845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.074845 (E_RNA)
where:
Base-Base interactions energy: -155.134
where: short stacking energy: -71.172
Base-Backbone interact. energy: -0.536
local terms energy: -70.405275
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -200.112434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.112434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.112434 (E_RNA)
where:
Base-Base interactions energy: -124.462
where: short stacking energy: -67.449
Base-Backbone interact. energy: -1.396
local terms energy: -74.253585
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -190.729870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.729870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.729870 (E_RNA)
where:
Base-Base interactions energy: -118.469
where: short stacking energy: -55.266
Base-Backbone interact. energy: 0.200
local terms energy: -72.460499
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -11.038
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: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -208.415837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.415837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.415837 (E_RNA)
where:
Base-Base interactions energy: -146.547
where: short stacking energy: -70.037
Base-Backbone interact. energy: -0.044
local terms energy: -61.825298
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -8.688
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -320.107487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.107487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.107487 (E_RNA)
where:
Base-Base interactions energy: -232.198
where: short stacking energy: -99.784
Base-Backbone interact. energy: -0.001
local terms energy: -87.909073
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -22.472
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: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -312.383809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.383809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.383809 (E_RNA)
where:
Base-Base interactions energy: -235.319
where: short stacking energy: -101.133
Base-Backbone interact. energy: -0.000
local terms energy: -77.064022
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -24.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -312.383999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.383999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.383999 (E_RNA)
where:
Base-Base interactions energy: -221.996
where: short stacking energy: -94.545
Base-Backbone interact. energy: -0.032
local terms energy: -90.356239
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -23.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -292.188629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.188629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.188629 (E_RNA)
where:
Base-Base interactions energy: -211.354
where: short stacking energy: -96.303
Base-Backbone interact. energy: -0.094
local terms energy: -80.740449
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -12.995
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: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -292.666298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.666298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.666298 (E_RNA)
where:
Base-Base interactions energy: -213.561
where: short stacking energy: -100.970
Base-Backbone interact. energy: -0.000
local terms energy: -79.105453
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -22.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -240.061267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.061267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.061267 (E_RNA)
where:
Base-Base interactions energy: -165.603
where: short stacking energy: -67.188
Base-Backbone interact. energy: -0.107
local terms energy: -74.351642
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -12.996
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: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -241.645223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.645223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.645223 (E_RNA)
where:
Base-Base interactions energy: -164.420
where: short stacking energy: -72.474
Base-Backbone interact. energy: -0.224
local terms energy: -77.001406
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -198.832230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.832230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.832230 (E_RNA)
where:
Base-Base interactions energy: -139.572
where: short stacking energy: -74.251
Base-Backbone interact. energy: -0.106
local terms energy: -59.154717
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -3.666
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -224.080326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.080326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.080326 (E_RNA)
where:
Base-Base interactions energy: -162.973
where: short stacking energy: -57.668
Base-Backbone interact. energy: -0.139
local terms energy: -60.967617
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -8.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -179.334448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.334448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.334448 (E_RNA)
where:
Base-Base interactions energy: -116.788
where: short stacking energy: -54.247
Base-Backbone interact. energy: 0.181
local terms energy: -62.726674
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -2.179
tors. eta vs tors. theta energy: -9.153
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: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -324.598583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.598583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.598583 (E_RNA)
where:
Base-Base interactions energy: -234.811
where: short stacking energy: -105.301
Base-Backbone interact. energy: -0.052
local terms energy: -89.735272
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -23.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -317.631488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.631488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.631488 (E_RNA)
where:
Base-Base interactions energy: -227.645
where: short stacking energy: -105.653
Base-Backbone interact. energy: -0.965
local terms energy: -89.021813
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -26.233
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: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -304.922504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.922504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.922504 (E_RNA)
where:
Base-Base interactions energy: -214.251
where: short stacking energy: -96.750
Base-Backbone interact. energy: -0.193
local terms energy: -90.478168
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -24.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -309.592084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.592084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.592084 (E_RNA)
where:
Base-Base interactions energy: -225.131
where: short stacking energy: -93.379
Base-Backbone interact. energy: -0.001
local terms energy: -84.459553
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -291.240755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.240755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.240755 (E_RNA)
where:
Base-Base interactions energy: -214.375
where: short stacking energy: -96.471
Base-Backbone interact. energy: -0.026
local terms energy: -76.839308
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -251.012801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.012801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.012801 (E_RNA)
where:
Base-Base interactions energy: -176.167
where: short stacking energy: -75.646
Base-Backbone interact. energy: -0.020
local terms energy: -74.826204
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -6.589
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: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -218.114666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.114666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.114666 (E_RNA)
where:
Base-Base interactions energy: -166.010
where: short stacking energy: -68.778
Base-Backbone interact. energy: 3.372
local terms energy: -55.476633
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -214.194467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.194467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.194467 (E_RNA)
where:
Base-Base interactions energy: -145.705
where: short stacking energy: -65.691
Base-Backbone interact. energy: -0.095
local terms energy: -68.394425
where:
bonds (distance) C4'-P energy: -8.003
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -185.302744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.302744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.302744 (E_RNA)
where:
Base-Base interactions energy: -116.124
where: short stacking energy: -53.248
Base-Backbone interact. energy: -0.336
local terms energy: -68.842196
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -14.806
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: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -221.864011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.864011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.864011 (E_RNA)
where:
Base-Base interactions energy: -165.897
where: short stacking energy: -55.143
Base-Backbone interact. energy: -0.670
local terms energy: -55.296454
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -6.821
flat angles P-C4'-P energy: -9.655
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: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -312.204584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.204584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.204584 (E_RNA)
where:
Base-Base interactions energy: -228.894
where: short stacking energy: -104.137
Base-Backbone interact. energy: -0.155
local terms energy: -83.155185
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -306.573060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.573060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.573060 (E_RNA)
where:
Base-Base interactions energy: -216.233
where: short stacking energy: -94.668
Base-Backbone interact. energy: -0.269
local terms energy: -90.071527
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -26.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -309.983886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.983886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.983886 (E_RNA)
where:
Base-Base interactions energy: -230.990
where: short stacking energy: -107.544
Base-Backbone interact. energy: -0.007
local terms energy: -78.987304
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -24.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -301.033747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.033747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.033747 (E_RNA)
where:
Base-Base interactions energy: -212.349
where: short stacking energy: -98.203
Base-Backbone interact. energy: -0.012
local terms energy: -88.672681
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -296.671386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.671386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.671386 (E_RNA)
where:
Base-Base interactions energy: -213.788
where: short stacking energy: -104.472
Base-Backbone interact. energy: -0.002
local terms energy: -82.881002
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -254.736138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.736138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.736138 (E_RNA)
where:
Base-Base interactions energy: -190.174
where: short stacking energy: -81.175
Base-Backbone interact. energy: -0.045
local terms energy: -64.517354
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -5.025
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: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -215.227815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.227815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.227815 (E_RNA)
where:
Base-Base interactions energy: -149.378
where: short stacking energy: -73.706
Base-Backbone interact. energy: -0.619
local terms energy: -65.230753
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -206.903236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.903236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.903236 (E_RNA)
where:
Base-Base interactions energy: -132.031
where: short stacking energy: -67.924
Base-Backbone interact. energy: -0.200
local terms energy: -74.671545
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -195.516012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.516012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.516012 (E_RNA)
where:
Base-Base interactions energy: -136.269
where: short stacking energy: -73.904
Base-Backbone interact. energy: -0.399
local terms energy: -58.848022
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -9.718
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -7.602
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: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -205.773774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.773774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.773774 (E_RNA)
where:
Base-Base interactions energy: -149.875
where: short stacking energy: -56.567
Base-Backbone interact. energy: -0.108
local terms energy: -55.791204
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -319.423553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.423553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.423553 (E_RNA)
where:
Base-Base interactions energy: -221.409
where: short stacking energy: -104.377
Base-Backbone interact. energy: -0.022
local terms energy: -97.993152
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -24.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -309.256534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.256534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.256534 (E_RNA)
where:
Base-Base interactions energy: -225.645
where: short stacking energy: -96.482
Base-Backbone interact. energy: -0.021
local terms energy: -83.590162
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -308.105811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.105811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.105811 (E_RNA)
where:
Base-Base interactions energy: -223.491
where: short stacking energy: -102.698
Base-Backbone interact. energy: -0.000
local terms energy: -84.614049
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -26.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -298.959691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.959691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.959691 (E_RNA)
where:
Base-Base interactions energy: -218.132
where: short stacking energy: -96.159
Base-Backbone interact. energy: -0.033
local terms energy: -80.794731
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -24.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -301.399221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.399221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.399221 (E_RNA)
where:
Base-Base interactions energy: -218.583
where: short stacking energy: -96.478
Base-Backbone interact. energy: -0.001
local terms energy: -82.815023
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -249.159137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.159137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.159137 (E_RNA)
where:
Base-Base interactions energy: -172.221
where: short stacking energy: -83.867
Base-Backbone interact. energy: -0.046
local terms energy: -76.892314
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -15.679
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: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -227.909516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.909516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.909516 (E_RNA)
where:
Base-Base interactions energy: -151.912
where: short stacking energy: -67.288
Base-Backbone interact. energy: -1.317
local terms energy: -74.680760
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -13.030
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: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -198.385620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.385620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.385620 (E_RNA)
where:
Base-Base interactions energy: -133.543
where: short stacking energy: -61.286
Base-Backbone interact. energy: -1.558
local terms energy: -63.284743
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -7.981
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: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -211.039724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.039724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.039724 (E_RNA)
where:
Base-Base interactions energy: -144.531
where: short stacking energy: -62.839
Base-Backbone interact. energy: -0.218
local terms energy: -66.290831
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -198.984858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.984858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.984858 (E_RNA)
where:
Base-Base interactions energy: -148.143
where: short stacking energy: -70.645
Base-Backbone interact. energy: -0.016
local terms energy: -50.826553
where:
bonds (distance) C4'-P energy: -8.105
bonds (distance) P-C4' energy: -8.066
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -14.011
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: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -314.703090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.703090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.703090 (E_RNA)
where:
Base-Base interactions energy: -223.772
where: short stacking energy: -104.298
Base-Backbone interact. energy: -0.362
local terms energy: -90.569590
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -27.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -317.308760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.308760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.308760 (E_RNA)
where:
Base-Base interactions energy: -233.836
where: short stacking energy: -103.654
Base-Backbone interact. energy: -0.706
local terms energy: -82.766638
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -25.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -305.882921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.882921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.882921 (E_RNA)
where:
Base-Base interactions energy: -218.881
where: short stacking energy: -100.194
Base-Backbone interact. energy: 2.186
local terms energy: -89.187252
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -23.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -300.067597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.067597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.067597 (E_RNA)
where:
Base-Base interactions energy: -220.712
where: short stacking energy: -91.298
Base-Backbone interact. energy: -0.512
local terms energy: -78.843213
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -296.335146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.335146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.335146 (E_RNA)
where:
Base-Base interactions energy: -213.694
where: short stacking energy: -92.367
Base-Backbone interact. energy: -0.029
local terms energy: -82.612802
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -237.428587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.428587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.428587 (E_RNA)
where:
Base-Base interactions energy: -157.826
where: short stacking energy: -71.544
Base-Backbone interact. energy: 0.327
local terms energy: -79.929043
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -241.395677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.395677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.395677 (E_RNA)
where:
Base-Base interactions energy: -170.169
where: short stacking energy: -81.901
Base-Backbone interact. energy: -0.407
local terms energy: -70.819351
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -10.803
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: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -212.358001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.358001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.358001 (E_RNA)
where:
Base-Base interactions energy: -136.648
where: short stacking energy: -70.888
Base-Backbone interact. energy: -0.136
local terms energy: -75.573588
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -195.154786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.154786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.154786 (E_RNA)
where:
Base-Base interactions energy: -127.129
where: short stacking energy: -69.576
Base-Backbone interact. energy: -0.188
local terms energy: -67.837543
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -9.392
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -196.675609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.675609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.675609 (E_RNA)
where:
Base-Base interactions energy: -130.735
where: short stacking energy: -63.620
Base-Backbone interact. energy: -1.591
local terms energy: -64.348791
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -12.093
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: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -318.956059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.956059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.956059 (E_RNA)
where:
Base-Base interactions energy: -223.486
where: short stacking energy: -104.908
Base-Backbone interact. energy: -0.772
local terms energy: -94.697659
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -27.629
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: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -315.126072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.126072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.126072 (E_RNA)
where:
Base-Base interactions energy: -232.045
where: short stacking energy: -100.289
Base-Backbone interact. energy: -0.028
local terms energy: -83.053354
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -24.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -320.887753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.887753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.887753 (E_RNA)
where:
Base-Base interactions energy: -235.622
where: short stacking energy: -103.022
Base-Backbone interact. energy: -0.471
local terms energy: -84.794188
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -23.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -311.403260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.403260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.403260 (E_RNA)
where:
Base-Base interactions energy: -237.319
where: short stacking energy: -100.987
Base-Backbone interact. energy: -0.036
local terms energy: -74.047823
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -26.693
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: 316
Temperature: 1.100000
Total energy: -300.210384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.210384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.210384 (E_RNA)
where:
Base-Base interactions energy: -211.379
where: short stacking energy: -94.403
Base-Backbone interact. energy: -0.911
local terms energy: -87.920027
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -24.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -245.051866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.051866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.051866 (E_RNA)
where:
Base-Base interactions energy: -163.469
where: short stacking energy: -75.486
Base-Backbone interact. energy: -0.003
local terms energy: -81.580188
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -203.830877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.830877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.830877 (E_RNA)
where:
Base-Base interactions energy: -134.390
where: short stacking energy: -72.362
Base-Backbone interact. energy: -0.011
local terms energy: -69.430221
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -11.647
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: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -233.408586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.408586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.408586 (E_RNA)
where:
Base-Base interactions energy: -162.890
where: short stacking energy: -63.889
Base-Backbone interact. energy: 0.993
local terms energy: -71.511413
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -191.646848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.646848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.646848 (E_RNA)
where:
Base-Base interactions energy: -130.666
where: short stacking energy: -65.673
Base-Backbone interact. energy: -0.196
local terms energy: -60.784704
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -191.710686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.710686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.710686 (E_RNA)
where:
Base-Base interactions energy: -119.423
where: short stacking energy: -63.812
Base-Backbone interact. energy: -0.301
local terms energy: -71.986909
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -12.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -310.341979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.341979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.341979 (E_RNA)
where:
Base-Base interactions energy: -219.990
where: short stacking energy: -97.735
Base-Backbone interact. energy: -0.003
local terms energy: -90.349210
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -24.592
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: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -324.369092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.369092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.369092 (E_RNA)
where:
Base-Base interactions energy: -239.340
where: short stacking energy: -100.820
Base-Backbone interact. energy: -0.020
local terms energy: -85.009068
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -26.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -313.265994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.265994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.265994 (E_RNA)
where:
Base-Base interactions energy: -229.800
where: short stacking energy: -106.122
Base-Backbone interact. energy: -0.002
local terms energy: -83.463513
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -23.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -302.553614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.553614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.553614 (E_RNA)
where:
Base-Base interactions energy: -221.158
where: short stacking energy: -93.242
Base-Backbone interact. energy: 0.610
local terms energy: -82.006222
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -24.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -300.818989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.818989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.818989 (E_RNA)
where:
Base-Base interactions energy: -211.000
where: short stacking energy: -83.990
Base-Backbone interact. energy: -0.215
local terms energy: -89.604175
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -26.028
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: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -231.289628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.289628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.289628 (E_RNA)
where:
Base-Base interactions energy: -153.809
where: short stacking energy: -74.909
Base-Backbone interact. energy: -0.004
local terms energy: -77.476797
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -216.876264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.876264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.876264 (E_RNA)
where:
Base-Base interactions energy: -146.782
where: short stacking energy: -82.150
Base-Backbone interact. energy: -0.093
local terms energy: -70.001469
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -192.304351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.304351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.304351 (E_RNA)
where:
Base-Base interactions energy: -128.240
where: short stacking energy: -58.011
Base-Backbone interact. energy: -0.810
local terms energy: -63.253999
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -236.548450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.548450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.548450 (E_RNA)
where:
Base-Base interactions energy: -159.210
where: short stacking energy: -74.208
Base-Backbone interact. energy: -0.707
local terms energy: -76.631958
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -188.175331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.175331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.175331 (E_RNA)
where:
Base-Base interactions energy: -120.587
where: short stacking energy: -48.626
Base-Backbone interact. energy: -1.096
local terms energy: -66.492811
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -8.880
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: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -327.515680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.515680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.515680 (E_RNA)
where:
Base-Base interactions energy: -243.025
where: short stacking energy: -106.781
Base-Backbone interact. energy: -0.212
local terms energy: -84.279225
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -24.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -305.351980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.351980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.351980 (E_RNA)
where:
Base-Base interactions energy: -213.133
where: short stacking energy: -101.056
Base-Backbone interact. energy: -0.700
local terms energy: -91.519340
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -22.923
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: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -311.838757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.838757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.838757 (E_RNA)
where:
Base-Base interactions energy: -224.434
where: short stacking energy: -99.685
Base-Backbone interact. energy: -0.092
local terms energy: -87.312550
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -26.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -305.414892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.414892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.414892 (E_RNA)
where:
Base-Base interactions energy: -218.740
where: short stacking energy: -97.093
Base-Backbone interact. energy: -0.013
local terms energy: -86.661956
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -24.598
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: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -291.637097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.637097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.637097 (E_RNA)
where:
Base-Base interactions energy: -211.100
where: short stacking energy: -93.170
Base-Backbone interact. energy: 1.292
local terms energy: -81.829579
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -8.980
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -25.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -239.460221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.460221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.460221 (E_RNA)
where:
Base-Base interactions energy: -172.081
where: short stacking energy: -82.752
Base-Backbone interact. energy: -0.439
local terms energy: -66.939478
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -3.672
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: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -230.191515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.191515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.191515 (E_RNA)
where:
Base-Base interactions energy: -151.609
where: short stacking energy: -91.794
Base-Backbone interact. energy: -0.102
local terms energy: -78.480505
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -20.972
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: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -214.067093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.067093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.067093 (E_RNA)
where:
Base-Base interactions energy: -142.748
where: short stacking energy: -68.877
Base-Backbone interact. energy: -0.365
local terms energy: -70.954008
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -15.590
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: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -201.549607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.549607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.549607 (E_RNA)
where:
Base-Base interactions energy: -138.989
where: short stacking energy: -61.417
Base-Backbone interact. energy: -1.040
local terms energy: -61.521147
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -6.732
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: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -170.848415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.848415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.848415 (E_RNA)
where:
Base-Base interactions energy: -110.041
where: short stacking energy: -41.914
Base-Backbone interact. energy: -0.330
local terms energy: -60.476514
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -325.662501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.662501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.662501 (E_RNA)
where:
Base-Base interactions energy: -238.364
where: short stacking energy: -102.099
Base-Backbone interact. energy: -0.003
local terms energy: -87.295026
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -24.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -313.982518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.982518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.982518 (E_RNA)
where:
Base-Base interactions energy: -225.538
where: short stacking energy: -89.410
Base-Backbone interact. energy: -0.652
local terms energy: -87.792770
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -25.196
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: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -317.976753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.976753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.976753 (E_RNA)
where:
Base-Base interactions energy: -231.723
where: short stacking energy: -103.012
Base-Backbone interact. energy: -0.041
local terms energy: -86.213104
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -23.865
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: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -298.187313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.187313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.187313 (E_RNA)
where:
Base-Base interactions energy: -219.351
where: short stacking energy: -91.176
Base-Backbone interact. energy: -0.084
local terms energy: -78.751708
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -300.896737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.896737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.896737 (E_RNA)
where:
Base-Base interactions energy: -215.292
where: short stacking energy: -98.972
Base-Backbone interact. energy: -0.005
local terms energy: -85.599279
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -240.235840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.235840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.235840 (E_RNA)
where:
Base-Base interactions energy: -164.096
where: short stacking energy: -86.469
Base-Backbone interact. energy: -0.953
local terms energy: -75.186841
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -19.241
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: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -245.138242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.138242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.138242 (E_RNA)
where:
Base-Base interactions energy: -168.027
where: short stacking energy: -76.087
Base-Backbone interact. energy: 0.773
local terms energy: -77.884682
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -223.445336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.445336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.445336 (E_RNA)
where:
Base-Base interactions energy: -151.797
where: short stacking energy: -59.104
Base-Backbone interact. energy: -0.218
local terms energy: -71.430657
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -219.184967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.184967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.184967 (E_RNA)
where:
Base-Base interactions energy: -137.511
where: short stacking energy: -70.542
Base-Backbone interact. energy: -0.330
local terms energy: -81.343894
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -23.188
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: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -155.996717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.996717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.996717 (E_RNA)
where:
Base-Base interactions energy: -87.663
where: short stacking energy: -51.203
Base-Backbone interact. energy: -0.301
local terms energy: -68.032254
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -330.487470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.487470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.487470 (E_RNA)
where:
Base-Base interactions energy: -242.103
where: short stacking energy: -106.300
Base-Backbone interact. energy: -0.881
local terms energy: -87.503820
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -25.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -306.117782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.117782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.117782 (E_RNA)
where:
Base-Base interactions energy: -213.672
where: short stacking energy: -89.213
Base-Backbone interact. energy: 0.410
local terms energy: -92.855683
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -22.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -315.590725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.590725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.590725 (E_RNA)
where:
Base-Base interactions energy: -242.618
where: short stacking energy: -100.724
Base-Backbone interact. energy: -0.033
local terms energy: -72.939624
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -3.911
tors. eta vs tors. theta energy: -23.566
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: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -312.748137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.748137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.748137 (E_RNA)
where:
Base-Base interactions energy: -235.448
where: short stacking energy: -94.973
Base-Backbone interact. energy: -0.056
local terms energy: -77.244665
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -296.244794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.244794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.244794 (E_RNA)
where:
Base-Base interactions energy: -216.155
where: short stacking energy: -97.461
Base-Backbone interact. energy: -0.075
local terms energy: -80.015000
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -24.921
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: 320
Temperature: 1.150000
Total energy: -250.239004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.239004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.239004 (E_RNA)
where:
Base-Base interactions energy: -165.192
where: short stacking energy: -85.406
Base-Backbone interact. energy: -1.553
local terms energy: -83.493724
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -234.279424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.279424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.279424 (E_RNA)
where:
Base-Base interactions energy: -151.557
where: short stacking energy: -72.536
Base-Backbone interact. energy: -1.197
local terms energy: -81.525108
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -24.700
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: 320
Temperature: 1.250000
Total energy: -226.726694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.726694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.726694 (E_RNA)
where:
Base-Base interactions energy: -156.465
where: short stacking energy: -69.635
Base-Backbone interact. energy: 1.407
local terms energy: -71.668996
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -15.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -229.794265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.794265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.794265 (E_RNA)
where:
Base-Base interactions energy: -154.318
where: short stacking energy: -80.717
Base-Backbone interact. energy: -0.028
local terms energy: -75.447518
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -13.074
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: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -166.687994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.687994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.687994 (E_RNA)
where:
Base-Base interactions energy: -99.990
where: short stacking energy: -45.209
Base-Backbone interact. energy: -0.220
local terms energy: -66.478332
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -325.991678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.991678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.991678 (E_RNA)
where:
Base-Base interactions energy: -238.340
where: short stacking energy: -102.502
Base-Backbone interact. energy: -0.067
local terms energy: -87.584186
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -25.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -313.190190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.190190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.190190 (E_RNA)
where:
Base-Base interactions energy: -223.015
where: short stacking energy: -100.939
Base-Backbone interact. energy: -0.992
local terms energy: -89.182586
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -25.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -311.391537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.391537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.391537 (E_RNA)
where:
Base-Base interactions energy: -220.007
where: short stacking energy: -102.055
Base-Backbone interact. energy: -0.219
local terms energy: -91.164796
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -301.497326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.497326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.497326 (E_RNA)
where:
Base-Base interactions energy: -221.069
where: short stacking energy: -96.460
Base-Backbone interact. energy: -0.001
local terms energy: -80.427478
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -23.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -299.402729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.402729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.402729 (E_RNA)
where:
Base-Base interactions energy: -209.721
where: short stacking energy: -97.269
Base-Backbone interact. energy: -0.035
local terms energy: -89.647250
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -26.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -247.360097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.360097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.360097 (E_RNA)
where:
Base-Base interactions energy: -163.081
where: short stacking energy: -83.671
Base-Backbone interact. energy: -0.001
local terms energy: -84.277550
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -239.344866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.344866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.344866 (E_RNA)
where:
Base-Base interactions energy: -166.991
where: short stacking energy: -86.812
Base-Backbone interact. energy: -0.292
local terms energy: -72.061126
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -240.704664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.704664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.704664 (E_RNA)
where:
Base-Base interactions energy: -161.553
where: short stacking energy: -78.336
Base-Backbone interact. energy: 0.871
local terms energy: -80.022575
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -19.491
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: 8
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -211.734664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.734664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.734664 (E_RNA)
where:
Base-Base interactions energy: -137.158
where: short stacking energy: -63.006
Base-Backbone interact. energy: -0.326
local terms energy: -74.250775
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -12.967
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: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -170.887680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.887680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.887680 (E_RNA)
where:
Base-Base interactions energy: -111.468
where: short stacking energy: -66.815
Base-Backbone interact. energy: -0.074
local terms energy: -59.345760
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -12.683
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: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -322.911967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.911967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.911967 (E_RNA)
where:
Base-Base interactions energy: -234.695
where: short stacking energy: -100.591
Base-Backbone interact. energy: -0.011
local terms energy: -88.205717
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -26.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -328.283177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.283177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.283177 (E_RNA)
where:
Base-Base interactions energy: -235.519
where: short stacking energy: -100.248
Base-Backbone interact. energy: -0.453
local terms energy: -92.310689
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -22.677
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: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -307.274289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.274289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.274289 (E_RNA)
where:
Base-Base interactions energy: -208.952
where: short stacking energy: -94.610
Base-Backbone interact. energy: -0.002
local terms energy: -98.320609
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -25.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -299.368471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.368471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.368471 (E_RNA)
where:
Base-Base interactions energy: -216.528
where: short stacking energy: -92.936
Base-Backbone interact. energy: -0.707
local terms energy: -82.133158
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -22.238
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: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -296.743762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.743762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.743762 (E_RNA)
where:
Base-Base interactions energy: -211.229
where: short stacking energy: -95.415
Base-Backbone interact. energy: -0.005
local terms energy: -85.509806
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -244.095571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.095571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.095571 (E_RNA)
where:
Base-Base interactions energy: -165.884
where: short stacking energy: -74.254
Base-Backbone interact. energy: -0.143
local terms energy: -78.069118
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -242.779185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.779185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.779185 (E_RNA)
where:
Base-Base interactions energy: -158.111
where: short stacking energy: -79.676
Base-Backbone interact. energy: -0.828
local terms energy: -83.840240
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -19.045
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: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -229.460443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.460443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.460443 (E_RNA)
where:
Base-Base interactions energy: -157.327
where: short stacking energy: -78.860
Base-Backbone interact. energy: -0.205
local terms energy: -71.928812
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -204.974624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.974624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.974624 (E_RNA)
where:
Base-Base interactions energy: -145.749
where: short stacking energy: -66.712
Base-Backbone interact. energy: -0.111
local terms energy: -59.114413
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -117.679675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.679675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.679675 (E_RNA)
where:
Base-Base interactions energy: -53.022
where: short stacking energy: -45.894
Base-Backbone interact. energy: -0.232
local terms energy: -64.425779
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -5.657
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: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -318.524069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.524069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.524069 (E_RNA)
where:
Base-Base interactions energy: -227.300
where: short stacking energy: -105.758
Base-Backbone interact. energy: -0.030
local terms energy: -91.194261
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -25.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -316.296795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.296795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.296795 (E_RNA)
where:
Base-Base interactions energy: -229.115
where: short stacking energy: -102.799
Base-Backbone interact. energy: -0.002
local terms energy: -87.180317
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -25.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -319.375090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.375090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.375090 (E_RNA)
where:
Base-Base interactions energy: -231.052
where: short stacking energy: -101.965
Base-Backbone interact. energy: -0.136
local terms energy: -88.186493
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -23.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -308.781939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.781939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.781939 (E_RNA)
where:
Base-Base interactions energy: -225.736
where: short stacking energy: -99.060
Base-Backbone interact. energy: -0.002
local terms energy: -83.043876
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -296.266074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.266074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.266074 (E_RNA)
where:
Base-Base interactions energy: -213.405
where: short stacking energy: -100.573
Base-Backbone interact. energy: 0.166
local terms energy: -83.026215
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -24.028
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: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -244.254023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.254023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.254023 (E_RNA)
where:
Base-Base interactions energy: -170.891
where: short stacking energy: -88.232
Base-Backbone interact. energy: 1.528
local terms energy: -74.891486
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -12.027
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: 7, replica: 2
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -249.987789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.987789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.987789 (E_RNA)
where:
Base-Base interactions energy: -162.331
where: short stacking energy: -79.077
Base-Backbone interact. energy: -0.626
local terms energy: -87.031130
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -25.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -224.374395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.374395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.374395 (E_RNA)
where:
Base-Base interactions energy: -146.249
where: short stacking energy: -67.770
Base-Backbone interact. energy: -2.823
local terms energy: -75.302045
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -17.220
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: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -223.457908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.457908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.457908 (E_RNA)
where:
Base-Base interactions energy: -149.038
where: short stacking energy: -88.084
Base-Backbone interact. energy: 0.803
local terms energy: -75.222824
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -23.899
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: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -98.387995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.387995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.387995 (E_RNA)
where:
Base-Base interactions energy: -40.101
where: short stacking energy: -25.418
Base-Backbone interact. energy: -0.320
local terms energy: -57.967123
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -318.790152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.790152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.790152 (E_RNA)
where:
Base-Base interactions energy: -237.167
where: short stacking energy: -100.340
Base-Backbone interact. energy: -0.414
local terms energy: -81.209561
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -25.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -313.346760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.346760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.346760 (E_RNA)
where:
Base-Base interactions energy: -230.539
where: short stacking energy: -93.584
Base-Backbone interact. energy: -0.018
local terms energy: -82.790305
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -325.315783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.315783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.315783 (E_RNA)
where:
Base-Base interactions energy: -240.313
where: short stacking energy: -102.065
Base-Backbone interact. energy: -0.862
local terms energy: -84.141083
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -24.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -292.814000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.814000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.814000 (E_RNA)
where:
Base-Base interactions energy: -215.071
where: short stacking energy: -94.334
Base-Backbone interact. energy: -0.100
local terms energy: -77.643035
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -21.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -240.381407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.381407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.381407 (E_RNA)
where:
Base-Base interactions energy: -162.790
where: short stacking energy: -78.050
Base-Backbone interact. energy: -0.106
local terms energy: -77.485854
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -283.541368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.541368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.541368 (E_RNA)
where:
Base-Base interactions energy: -209.952
where: short stacking energy: -96.604
Base-Backbone interact. energy: -0.016
local terms energy: -73.572959
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -8.811
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -23.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -231.132688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.132688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.132688 (E_RNA)
where:
Base-Base interactions energy: -158.401
where: short stacking energy: -77.227
Base-Backbone interact. energy: 1.010
local terms energy: -73.741774
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -238.516809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.516809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.516809 (E_RNA)
where:
Base-Base interactions energy: -164.641
where: short stacking energy: -84.454
Base-Backbone interact. energy: -0.065
local terms energy: -73.811415
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -195.970269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.970269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.970269 (E_RNA)
where:
Base-Base interactions energy: -131.846
where: short stacking energy: -62.982
Base-Backbone interact. energy: -0.129
local terms energy: -63.994853
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -14.299
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: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -114.240809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.240809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.240809 (E_RNA)
where:
Base-Base interactions energy: -53.065
where: short stacking energy: -48.179
Base-Backbone interact. energy: -0.087
local terms energy: -61.088979
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -8.662
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: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -322.131623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.131623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.131623 (E_RNA)
where:
Base-Base interactions energy: -235.398
where: short stacking energy: -97.984
Base-Backbone interact. energy: -0.003
local terms energy: -86.729927
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -320.933038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.933038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.933038 (E_RNA)
where:
Base-Base interactions energy: -239.512
where: short stacking energy: -109.292
Base-Backbone interact. energy: -0.002
local terms energy: -81.418455
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -25.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -309.763114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.763114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.763114 (E_RNA)
where:
Base-Base interactions energy: -220.445
where: short stacking energy: -91.262
Base-Backbone interact. energy: -0.149
local terms energy: -89.169756
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -12.871
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: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -295.477363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.477363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.477363 (E_RNA)
where:
Base-Base interactions energy: -203.627
where: short stacking energy: -93.613
Base-Backbone interact. energy: -0.003
local terms energy: -91.847462
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -262.281163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.281163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.281163 (E_RNA)
where:
Base-Base interactions energy: -187.381
where: short stacking energy: -82.451
Base-Backbone interact. energy: -0.370
local terms energy: -74.529511
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -278.846735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.846735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.846735 (E_RNA)
where:
Base-Base interactions energy: -205.141
where: short stacking energy: -93.067
Base-Backbone interact. energy: 1.941
local terms energy: -75.646632
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -23.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -213.034966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.034966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.034966 (E_RNA)
where:
Base-Base interactions energy: -137.588
where: short stacking energy: -62.697
Base-Backbone interact. energy: -0.209
local terms energy: -75.238160
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -210.752665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.752665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.752665 (E_RNA)
where:
Base-Base interactions energy: -139.250
where: short stacking energy: -64.000
Base-Backbone interact. energy: 0.640
local terms energy: -72.142270
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -219.705565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.705565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.705565 (E_RNA)
where:
Base-Base interactions energy: -139.647
where: short stacking energy: -89.291
Base-Backbone interact. energy: -0.014
local terms energy: -80.044606
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -21.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -115.227675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.227675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.227675 (E_RNA)
where:
Base-Base interactions energy: -60.026
where: short stacking energy: -57.235
Base-Backbone interact. energy: -0.287
local terms energy: -54.914792
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -5.363
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -12.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -327.488467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.488467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.488467 (E_RNA)
where:
Base-Base interactions energy: -248.833
where: short stacking energy: -111.201
Base-Backbone interact. energy: -0.012
local terms energy: -78.643347
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -25.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -315.903187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.903187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.903187 (E_RNA)
where:
Base-Base interactions energy: -229.295
where: short stacking energy: -100.833
Base-Backbone interact. energy: -0.334
local terms energy: -86.274685
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -27.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -311.634461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.634461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.634461 (E_RNA)
where:
Base-Base interactions energy: -226.071
where: short stacking energy: -93.188
Base-Backbone interact. energy: -0.007
local terms energy: -85.556445
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -305.282585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.282585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.282585 (E_RNA)
where:
Base-Base interactions energy: -227.697
where: short stacking energy: -102.513
Base-Backbone interact. energy: -0.007
local terms energy: -77.579027
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -24.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -297.413914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.413914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.413914 (E_RNA)
where:
Base-Base interactions energy: -214.659
where: short stacking energy: -93.186
Base-Backbone interact. energy: -0.001
local terms energy: -82.753373
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -25.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -257.777939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.777939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.777939 (E_RNA)
where:
Base-Base interactions energy: -182.229
where: short stacking energy: -76.670
Base-Backbone interact. energy: -0.531
local terms energy: -75.018268
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -223.465044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.465044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.465044 (E_RNA)
where:
Base-Base interactions energy: -149.621
where: short stacking energy: -74.863
Base-Backbone interact. energy: -0.206
local terms energy: -73.637773
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -207.463919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.463919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.463919 (E_RNA)
where:
Base-Base interactions energy: -140.101
where: short stacking energy: -65.498
Base-Backbone interact. energy: -0.342
local terms energy: -67.020814
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -8.433
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -13.604
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: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -206.085135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.085135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.085135 (E_RNA)
where:
Base-Base interactions energy: -140.470
where: short stacking energy: -75.635
Base-Backbone interact. energy: -0.053
local terms energy: -65.562600
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -104.523611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.523611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.523611 (E_RNA)
where:
Base-Base interactions energy: -49.910
where: short stacking energy: -37.557
Base-Backbone interact. energy: -0.378
local terms energy: -54.235927
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -8.532
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -325.158374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.158374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.158374 (E_RNA)
where:
Base-Base interactions energy: -243.254
where: short stacking energy: -106.675
Base-Backbone interact. energy: -0.009
local terms energy: -81.896245
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -24.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -308.042185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.042185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.042185 (E_RNA)
where:
Base-Base interactions energy: -222.774
where: short stacking energy: -92.842
Base-Backbone interact. energy: -0.045
local terms energy: -85.223484
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -22.489
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: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -306.024480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.024480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.024480 (E_RNA)
where:
Base-Base interactions energy: -224.510
where: short stacking energy: -99.851
Base-Backbone interact. energy: -0.037
local terms energy: -81.478028
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -23.586
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: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -296.410153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.410153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.410153 (E_RNA)
where:
Base-Base interactions energy: -214.919
where: short stacking energy: -97.320
Base-Backbone interact. energy: -0.005
local terms energy: -81.486616
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -22.748
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: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -291.622564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.622564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.622564 (E_RNA)
where:
Base-Base interactions energy: -206.337
where: short stacking energy: -90.039
Base-Backbone interact. energy: -0.164
local terms energy: -85.121957
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -24.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -242.537294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.537294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.537294 (E_RNA)
where:
Base-Base interactions energy: -170.360
where: short stacking energy: -79.564
Base-Backbone interact. energy: -0.139
local terms energy: -72.037629
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -222.571063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.571063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.571063 (E_RNA)
where:
Base-Base interactions energy: -143.885
where: short stacking energy: -77.340
Base-Backbone interact. energy: -0.198
local terms energy: -78.487445
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -12.607
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: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -205.404552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.404552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.404552 (E_RNA)
where:
Base-Base interactions energy: -133.379
where: short stacking energy: -68.525
Base-Backbone interact. energy: -0.031
local terms energy: -71.994908
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -15.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -184.961440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.961440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.961440 (E_RNA)
where:
Base-Base interactions energy: -120.888
where: short stacking energy: -67.913
Base-Backbone interact. energy: -0.024
local terms energy: -64.049949
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -11.888
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: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -110.411786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.411786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.411786 (E_RNA)
where:
Base-Base interactions energy: -56.787
where: short stacking energy: -48.253
Base-Backbone interact. energy: 0.805
local terms energy: -54.429230
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -6.693
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: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -318.641801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.641801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.641801 (E_RNA)
where:
Base-Base interactions energy: -233.031
where: short stacking energy: -98.589
Base-Backbone interact. energy: -0.025
local terms energy: -85.585962
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -22.938
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: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -317.257620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.257620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.257620 (E_RNA)
where:
Base-Base interactions energy: -239.355
where: short stacking energy: -97.106
Base-Backbone interact. energy: -0.417
local terms energy: -77.486416
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -307.192559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.192559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.192559 (E_RNA)
where:
Base-Base interactions energy: -220.710
where: short stacking energy: -101.565
Base-Backbone interact. energy: 1.083
local terms energy: -87.566228
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -24.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -291.066347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.066347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.066347 (E_RNA)
where:
Base-Base interactions energy: -209.824
where: short stacking energy: -95.006
Base-Backbone interact. energy: -0.001
local terms energy: -81.241678
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -21.855
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: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -295.183205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.183205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.183205 (E_RNA)
where:
Base-Base interactions energy: -213.100
where: short stacking energy: -97.502
Base-Backbone interact. energy: -0.009
local terms energy: -82.074689
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -23.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -236.905277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.905277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.905277 (E_RNA)
where:
Base-Base interactions energy: -165.084
where: short stacking energy: -84.694
Base-Backbone interact. energy: -0.372
local terms energy: -71.449005
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -215.641390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.641390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.641390 (E_RNA)
where:
Base-Base interactions energy: -150.714
where: short stacking energy: -73.172
Base-Backbone interact. energy: -0.024
local terms energy: -64.902905
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -202.277638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.277638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.277638 (E_RNA)
where:
Base-Base interactions energy: -137.204
where: short stacking energy: -67.767
Base-Backbone interact. energy: 0.792
local terms energy: -65.865607
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -17.053
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: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -205.970068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.970068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.970068 (E_RNA)
where:
Base-Base interactions energy: -139.360
where: short stacking energy: -72.408
Base-Backbone interact. energy: -0.006
local terms energy: -66.603730
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -101.883966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.883966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.883966 (E_RNA)
where:
Base-Base interactions energy: -42.813
where: short stacking energy: -42.813
Base-Backbone interact. energy: -0.113
local terms energy: -58.957493
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -7.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -312.474654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.474654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.474654 (E_RNA)
where:
Base-Base interactions energy: -232.082
where: short stacking energy: -94.579
Base-Backbone interact. energy: 0.156
local terms energy: -80.548499
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -312.091247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.091247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.091247 (E_RNA)
where:
Base-Base interactions energy: -226.877
where: short stacking energy: -97.264
Base-Backbone interact. energy: -0.047
local terms energy: -85.167747
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -24.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -315.582173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.582173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.582173 (E_RNA)
where:
Base-Base interactions energy: -227.857
where: short stacking energy: -90.712
Base-Backbone interact. energy: -1.247
local terms energy: -86.478480
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -21.826
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: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -301.387916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.387916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.387916 (E_RNA)
where:
Base-Base interactions energy: -217.196
where: short stacking energy: -87.672
Base-Backbone interact. energy: -1.158
local terms energy: -83.033506
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -22.452
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: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -289.963368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.963368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.963368 (E_RNA)
where:
Base-Base interactions energy: -213.583
where: short stacking energy: -98.615
Base-Backbone interact. energy: -0.029
local terms energy: -76.351944
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -22.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -236.647924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.647924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.647924 (E_RNA)
where:
Base-Base interactions energy: -151.089
where: short stacking energy: -76.896
Base-Backbone interact. energy: -0.186
local terms energy: -85.373426
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -20.098
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: 329
Temperature: 1.200000
Total energy: -221.826438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.826438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.826438 (E_RNA)
where:
Base-Base interactions energy: -152.586
where: short stacking energy: -57.356
Base-Backbone interact. energy: -0.242
local terms energy: -68.998673
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -15.399
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: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -226.173759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.173759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.173759 (E_RNA)
where:
Base-Base interactions energy: -159.603
where: short stacking energy: -76.159
Base-Backbone interact. energy: -0.009
local terms energy: -66.561191
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -196.582542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.582542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.582542 (E_RNA)
where:
Base-Base interactions energy: -131.960
where: short stacking energy: -69.587
Base-Backbone interact. energy: -0.271
local terms energy: -64.351126
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -8.465
flat angles P-C4'-P energy: -9.654
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: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -94.273611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.273611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.273611 (E_RNA)
where:
Base-Base interactions energy: -50.871
where: short stacking energy: -32.164
Base-Backbone interact. energy: -0.160
local terms energy: -43.243117
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: 2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -311.201577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.201577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.201577 (E_RNA)
where:
Base-Base interactions energy: -220.986
where: short stacking energy: -96.324
Base-Backbone interact. energy: -0.001
local terms energy: -90.215320
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -25.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -309.728479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.728479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.728479 (E_RNA)
where:
Base-Base interactions energy: -226.554
where: short stacking energy: -94.333
Base-Backbone interact. energy: -0.034
local terms energy: -83.140808
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -24.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -303.608319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.608319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.608319 (E_RNA)
where:
Base-Base interactions energy: -212.934
where: short stacking energy: -100.373
Base-Backbone interact. energy: -0.001
local terms energy: -90.673767
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -24.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -306.830215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.830215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.830215 (E_RNA)
where:
Base-Base interactions energy: -216.450
where: short stacking energy: -97.228
Base-Backbone interact. energy: -0.001
local terms energy: -90.379071
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -25.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -289.432215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.432215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.432215 (E_RNA)
where:
Base-Base interactions energy: -204.380
where: short stacking energy: -94.495
Base-Backbone interact. energy: -0.001
local terms energy: -85.051041
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -222.404155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.404155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.404155 (E_RNA)
where:
Base-Base interactions energy: -149.184
where: short stacking energy: -64.529
Base-Backbone interact. energy: -0.044
local terms energy: -73.176711
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -12.620
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: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -229.089123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.089123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.089123 (E_RNA)
where:
Base-Base interactions energy: -154.684
where: short stacking energy: -70.930
Base-Backbone interact. energy: -0.471
local terms energy: -73.934710
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -14.067
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: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -228.525317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.525317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.525317 (E_RNA)
where:
Base-Base interactions energy: -146.071
where: short stacking energy: -68.745
Base-Backbone interact. energy: -1.371
local terms energy: -81.082863
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -199.238921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.238921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.238921 (E_RNA)
where:
Base-Base interactions energy: -137.244
where: short stacking energy: -77.399
Base-Backbone interact. energy: -0.006
local terms energy: -61.989424
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -17.414
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: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -113.582437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.582437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.582437 (E_RNA)
where:
Base-Base interactions energy: -46.299
where: short stacking energy: -41.456
Base-Backbone interact. energy: -0.456
local terms energy: -66.827704
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -13.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -307.999069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.999069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.999069 (E_RNA)
where:
Base-Base interactions energy: -221.274
where: short stacking energy: -102.153
Base-Backbone interact. energy: -0.021
local terms energy: -86.704351
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -313.976503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.976503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.976503 (E_RNA)
where:
Base-Base interactions energy: -228.127
where: short stacking energy: -95.363
Base-Backbone interact. energy: -0.334
local terms energy: -85.516097
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -22.476
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: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -304.048952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.048952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.048952 (E_RNA)
where:
Base-Base interactions energy: -220.850
where: short stacking energy: -97.945
Base-Backbone interact. energy: 1.068
local terms energy: -84.266842
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -24.314
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: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -286.694531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.694531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.694531 (E_RNA)
where:
Base-Base interactions energy: -203.240
where: short stacking energy: -81.195
Base-Backbone interact. energy: -0.033
local terms energy: -83.421220
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -21.213
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: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -297.727183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.727183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.727183 (E_RNA)
where:
Base-Base interactions energy: -216.641
where: short stacking energy: -95.592
Base-Backbone interact. energy: -0.107
local terms energy: -80.979453
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -24.921
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: 331
Temperature: 1.150000
Total energy: -232.924127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.924127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.924127 (E_RNA)
where:
Base-Base interactions energy: -164.042
where: short stacking energy: -84.367
Base-Backbone interact. energy: -0.069
local terms energy: -68.813517
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -231.723820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.723820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.723820 (E_RNA)
where:
Base-Base interactions energy: -159.069
where: short stacking energy: -78.358
Base-Backbone interact. energy: -0.102
local terms energy: -72.551897
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -201.573108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.573108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.573108 (E_RNA)
where:
Base-Base interactions energy: -134.742
where: short stacking energy: -74.222
Base-Backbone interact. energy: 0.887
local terms energy: -67.718770
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -223.591907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.591907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.591907 (E_RNA)
where:
Base-Base interactions energy: -154.616
where: short stacking energy: -82.153
Base-Backbone interact. energy: 1.522
local terms energy: -70.497825
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -133.005478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.005478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.005478 (E_RNA)
where:
Base-Base interactions energy: -81.786
where: short stacking energy: -37.571
Base-Backbone interact. energy: 0.509
local terms energy: -51.729092
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -7.076
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: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -314.451538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.451538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.451538 (E_RNA)
where:
Base-Base interactions energy: -226.252
where: short stacking energy: -99.627
Base-Backbone interact. energy: -0.082
local terms energy: -88.117103
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -23.595
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: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -305.134402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.134402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.134402 (E_RNA)
where:
Base-Base interactions energy: -219.558
where: short stacking energy: -89.116
Base-Backbone interact. energy: -0.026
local terms energy: -85.550222
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -12.525
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: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -293.102597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.102597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.102597 (E_RNA)
where:
Base-Base interactions energy: -213.355
where: short stacking energy: -102.924
Base-Backbone interact. energy: -0.423
local terms energy: -79.324703
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -15.258
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: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -292.625399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.625399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.625399 (E_RNA)
where:
Base-Base interactions energy: -221.653
where: short stacking energy: -100.918
Base-Backbone interact. energy: -0.005
local terms energy: -70.967756
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -296.319236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.319236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.319236 (E_RNA)
where:
Base-Base interactions energy: -219.496
where: short stacking energy: -94.247
Base-Backbone interact. energy: -0.269
local terms energy: -76.553391
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -22.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -218.832566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.832566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.832566 (E_RNA)
where:
Base-Base interactions energy: -142.923
where: short stacking energy: -83.072
Base-Backbone interact. energy: -0.052
local terms energy: -75.857669
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -226.642875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.642875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.642875 (E_RNA)
where:
Base-Base interactions energy: -153.449
where: short stacking energy: -83.666
Base-Backbone interact. energy: -0.048
local terms energy: -73.146054
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -225.790430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.790430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.790430 (E_RNA)
where:
Base-Base interactions energy: -155.160
where: short stacking energy: -73.445
Base-Backbone interact. energy: -1.007
local terms energy: -69.624140
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -212.397304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.397304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.397304 (E_RNA)
where:
Base-Base interactions energy: -139.021
where: short stacking energy: -64.545
Base-Backbone interact. energy: -0.429
local terms energy: -72.947213
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -17.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -122.114328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.114328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.114328 (E_RNA)
where:
Base-Base interactions energy: -62.802
where: short stacking energy: -54.401
Base-Backbone interact. energy: -1.019
local terms energy: -58.294025
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -310.885556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.885556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.885556 (E_RNA)
where:
Base-Base interactions energy: -225.023
where: short stacking energy: -98.538
Base-Backbone interact. energy: -0.005
local terms energy: -85.857607
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -23.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -313.589860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.589860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.589860 (E_RNA)
where:
Base-Base interactions energy: -228.080
where: short stacking energy: -99.263
Base-Backbone interact. energy: -0.088
local terms energy: -85.421752
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -23.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -305.045371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.045371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.045371 (E_RNA)
where:
Base-Base interactions energy: -223.964
where: short stacking energy: -96.652
Base-Backbone interact. energy: -0.324
local terms energy: -80.757586
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -300.066555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.066555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.066555 (E_RNA)
where:
Base-Base interactions energy: -215.617
where: short stacking energy: -90.312
Base-Backbone interact. energy: -0.027
local terms energy: -84.422484
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -25.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -301.208917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.208917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.208917 (E_RNA)
where:
Base-Base interactions energy: -214.039
where: short stacking energy: -98.998
Base-Backbone interact. energy: -0.112
local terms energy: -87.057408
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -24.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -223.222616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.222616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.222616 (E_RNA)
where:
Base-Base interactions energy: -155.803
where: short stacking energy: -76.661
Base-Backbone interact. energy: -0.036
local terms energy: -67.383103
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -212.171841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.171841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.171841 (E_RNA)
where:
Base-Base interactions energy: -146.238
where: short stacking energy: -74.829
Base-Backbone interact. energy: -0.051
local terms energy: -65.882423
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -223.322141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.322141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.322141 (E_RNA)
where:
Base-Base interactions energy: -154.621
where: short stacking energy: -74.371
Base-Backbone interact. energy: -0.020
local terms energy: -68.681331
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -19.592
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: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -211.383298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.383298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.383298 (E_RNA)
where:
Base-Base interactions energy: -148.368
where: short stacking energy: -64.279
Base-Backbone interact. energy: -1.364
local terms energy: -61.651090
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -12.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -111.775068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.775068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.775068 (E_RNA)
where:
Base-Base interactions energy: -51.651
where: short stacking energy: -33.897
Base-Backbone interact. energy: -1.016
local terms energy: -59.108342
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -320.969834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.969834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.969834 (E_RNA)
where:
Base-Base interactions energy: -231.587
where: short stacking energy: -103.392
Base-Backbone interact. energy: -0.009
local terms energy: -89.373713
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -26.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -315.814192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.814192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.814192 (E_RNA)
where:
Base-Base interactions energy: -225.349
where: short stacking energy: -106.070
Base-Backbone interact. energy: -0.248
local terms energy: -90.216787
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -27.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -304.563414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.563414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.563414 (E_RNA)
where:
Base-Base interactions energy: -215.251
where: short stacking energy: -100.495
Base-Backbone interact. energy: -0.987
local terms energy: -88.325062
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -23.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -308.795331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.795331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.795331 (E_RNA)
where:
Base-Base interactions energy: -224.389
where: short stacking energy: -102.183
Base-Backbone interact. energy: -0.036
local terms energy: -84.370775
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -26.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -300.067113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.067113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.067113 (E_RNA)
where:
Base-Base interactions energy: -215.319
where: short stacking energy: -93.209
Base-Backbone interact. energy: -0.115
local terms energy: -84.633339
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -22.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -229.358592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.358592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.358592 (E_RNA)
where:
Base-Base interactions energy: -152.366
where: short stacking energy: -86.139
Base-Backbone interact. energy: -0.100
local terms energy: -76.893035
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -213.401931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.401931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.401931 (E_RNA)
where:
Base-Base interactions energy: -147.808
where: short stacking energy: -70.248
Base-Backbone interact. energy: -0.695
local terms energy: -64.898630
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -13.466
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: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -208.757073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.757073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.757073 (E_RNA)
where:
Base-Base interactions energy: -135.011
where: short stacking energy: -73.672
Base-Backbone interact. energy: -0.828
local terms energy: -72.918378
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -207.386978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.386978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.386978 (E_RNA)
where:
Base-Base interactions energy: -145.631
where: short stacking energy: -57.017
Base-Backbone interact. energy: -0.174
local terms energy: -61.581845
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -110.335214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.335214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.335214 (E_RNA)
where:
Base-Base interactions energy: -57.784
where: short stacking energy: -53.790
Base-Backbone interact. energy: -0.058
local terms energy: -52.492844
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -4.272
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: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -317.477550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.477550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.477550 (E_RNA)
where:
Base-Base interactions energy: -223.771
where: short stacking energy: -104.167
Base-Backbone interact. energy: 0.487
local terms energy: -94.193989
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -25.856
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: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -313.225245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.225245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.225245 (E_RNA)
where:
Base-Base interactions energy: -222.494
where: short stacking energy: -102.038
Base-Backbone interact. energy: -0.003
local terms energy: -90.727944
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -302.305842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.305842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.305842 (E_RNA)
where:
Base-Base interactions energy: -224.543
where: short stacking energy: -101.362
Base-Backbone interact. energy: 0.376
local terms energy: -78.138788
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -25.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -292.953197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.953197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.953197 (E_RNA)
where:
Base-Base interactions energy: -211.132
where: short stacking energy: -88.587
Base-Backbone interact. energy: -0.017
local terms energy: -81.803497
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -310.703459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.703459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.703459 (E_RNA)
where:
Base-Base interactions energy: -218.806
where: short stacking energy: -98.557
Base-Backbone interact. energy: 0.288
local terms energy: -92.185867
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -24.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -202.625106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.625106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.625106 (E_RNA)
where:
Base-Base interactions energy: -140.235
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.085
local terms energy: -62.304840
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -9.789
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: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -202.822923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.822923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.822923 (E_RNA)
where:
Base-Base interactions energy: -130.053
where: short stacking energy: -73.213
Base-Backbone interact. energy: -0.141
local terms energy: -72.629148
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -14.098
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: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -205.430857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.430857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.430857 (E_RNA)
where:
Base-Base interactions energy: -133.173
where: short stacking energy: -75.316
Base-Backbone interact. energy: 0.005
local terms energy: -72.262733
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -9.567
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: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -183.334249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.334249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.334249 (E_RNA)
where:
Base-Base interactions energy: -122.939
where: short stacking energy: -58.341
Base-Backbone interact. energy: -0.158
local terms energy: -60.237188
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -6.129
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: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -106.156554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.156554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.156554 (E_RNA)
where:
Base-Base interactions energy: -56.023
where: short stacking energy: -54.026
Base-Backbone interact. energy: -0.586
local terms energy: -49.547649
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -7.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -311.562159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.562159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.562159 (E_RNA)
where:
Base-Base interactions energy: -234.863
where: short stacking energy: -92.636
Base-Backbone interact. energy: -0.000
local terms energy: -76.699094
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -24.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -309.261061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.261061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.261061 (E_RNA)
where:
Base-Base interactions energy: -218.088
where: short stacking energy: -104.520
Base-Backbone interact. energy: -0.006
local terms energy: -91.167338
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -25.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -309.311580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.311580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.311580 (E_RNA)
where:
Base-Base interactions energy: -224.720
where: short stacking energy: -92.462
Base-Backbone interact. energy: -0.095
local terms energy: -84.495810
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -23.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -303.548539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.548539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.548539 (E_RNA)
where:
Base-Base interactions energy: -213.391
where: short stacking energy: -94.120
Base-Backbone interact. energy: -0.001
local terms energy: -90.156626
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -21.090
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: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -298.594249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.594249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.594249 (E_RNA)
where:
Base-Base interactions energy: -209.535
where: short stacking energy: -100.497
Base-Backbone interact. energy: -0.004
local terms energy: -89.054942
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -24.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -198.120565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.120565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.120565 (E_RNA)
where:
Base-Base interactions energy: -140.780
where: short stacking energy: -53.964
Base-Backbone interact. energy: -0.577
local terms energy: -56.763440
where:
bonds (distance) C4'-P energy: -6.848
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -211.061168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.061168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.061168 (E_RNA)
where:
Base-Base interactions energy: -134.727
where: short stacking energy: -67.001
Base-Backbone interact. energy: -0.164
local terms energy: -76.170143
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -10.415
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: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -206.245449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.245449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.245449 (E_RNA)
where:
Base-Base interactions energy: -145.516
where: short stacking energy: -58.492
Base-Backbone interact. energy: -0.060
local terms energy: -60.669448
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -9.130
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: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -193.265080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.265080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.265080 (E_RNA)
where:
Base-Base interactions energy: -132.039
where: short stacking energy: -61.085
Base-Backbone interact. energy: -0.158
local terms energy: -61.067515
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -11.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -99.497084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.497084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.497084 (E_RNA)
where:
Base-Base interactions energy: -43.974
where: short stacking energy: -29.645
Base-Backbone interact. energy: -0.064
local terms energy: -55.459507
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -320.064994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.064994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.064994 (E_RNA)
where:
Base-Base interactions energy: -229.892
where: short stacking energy: -92.139
Base-Backbone interact. energy: -0.025
local terms energy: -90.147403
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -25.327
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: 337
Temperature: 0.950000
Total energy: -310.431262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.431262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.431262 (E_RNA)
where:
Base-Base interactions energy: -225.786
where: short stacking energy: -93.759
Base-Backbone interact. energy: -0.225
local terms energy: -84.420299
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -24.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -309.438569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.438569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.438569 (E_RNA)
where:
Base-Base interactions energy: -223.766
where: short stacking energy: -105.335
Base-Backbone interact. energy: -0.002
local terms energy: -85.670729
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -299.422138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.422138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.422138 (E_RNA)
where:
Base-Base interactions energy: -215.847
where: short stacking energy: -98.671
Base-Backbone interact. energy: -0.028
local terms energy: -83.546732
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -22.537
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: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -302.815959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.815959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.815959 (E_RNA)
where:
Base-Base interactions energy: -215.435
where: short stacking energy: -96.935
Base-Backbone interact. energy: 0.047
local terms energy: -87.427892
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -24.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -236.680522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.680522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.680522 (E_RNA)
where:
Base-Base interactions energy: -159.610
where: short stacking energy: -83.003
Base-Backbone interact. energy: -0.240
local terms energy: -76.830199
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -215.694777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.694777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.694777 (E_RNA)
where:
Base-Base interactions energy: -148.641
where: short stacking energy: -69.097
Base-Backbone interact. energy: -0.633
local terms energy: -66.420271
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -196.231920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.231920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.231920 (E_RNA)
where:
Base-Base interactions energy: -128.924
where: short stacking energy: -61.278
Base-Backbone interact. energy: -0.298
local terms energy: -67.009935
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -8.288
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: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -219.429304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.429304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.429304 (E_RNA)
where:
Base-Base interactions energy: -148.855
where: short stacking energy: -74.748
Base-Backbone interact. energy: -0.079
local terms energy: -70.495370
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -15.927
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: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -99.955752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.955752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.955752 (E_RNA)
where:
Base-Base interactions energy: -43.655
where: short stacking energy: -43.655
Base-Backbone interact. energy: 0.131
local terms energy: -56.431216
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -6.166
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: 338
Temperature: 0.900000
Total energy: -330.377739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.377739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.377739 (E_RNA)
where:
Base-Base interactions energy: -243.708
where: short stacking energy: -103.289
Base-Backbone interact. energy: -0.003
local terms energy: -86.666406
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -24.652
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: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -309.234580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.234580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.234580 (E_RNA)
where:
Base-Base interactions energy: -220.360
where: short stacking energy: -99.676
Base-Backbone interact. energy: -0.023
local terms energy: -88.851370
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -25.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -299.624570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.624570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.624570 (E_RNA)
where:
Base-Base interactions energy: -213.541
where: short stacking energy: -93.261
Base-Backbone interact. energy: 0.281
local terms energy: -86.363651
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -22.749
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: 338
Temperature: 1.050000
Total energy: -295.379690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.379690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.379690 (E_RNA)
where:
Base-Base interactions energy: -204.479
where: short stacking energy: -98.343
Base-Backbone interact. energy: -0.029
local terms energy: -90.871569
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -23.657
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: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -289.161278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.161278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.161278 (E_RNA)
where:
Base-Base interactions energy: -209.901
where: short stacking energy: -83.791
Base-Backbone interact. energy: -0.257
local terms energy: -79.002545
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -216.341782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.341782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.341782 (E_RNA)
where:
Base-Base interactions energy: -138.718
where: short stacking energy: -80.810
Base-Backbone interact. energy: -0.091
local terms energy: -77.532123
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -223.572718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.572718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.572718 (E_RNA)
where:
Base-Base interactions energy: -152.947
where: short stacking energy: -72.957
Base-Backbone interact. energy: -0.114
local terms energy: -70.511861
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -16.402
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: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -232.484706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.484706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.484706 (E_RNA)
where:
Base-Base interactions energy: -156.221
where: short stacking energy: -80.939
Base-Backbone interact. energy: -0.722
local terms energy: -75.541711
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -3.564
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -185.682659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.682659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.682659 (E_RNA)
where:
Base-Base interactions energy: -119.760
where: short stacking energy: -54.599
Base-Backbone interact. energy: -0.252
local terms energy: -65.671012
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -97.635904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.635904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.635904 (E_RNA)
where:
Base-Base interactions energy: -40.021
where: short stacking energy: -40.021
Base-Backbone interact. energy: -0.201
local terms energy: -57.414138
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -315.909685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.909685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.909685 (E_RNA)
where:
Base-Base interactions energy: -229.236
where: short stacking energy: -97.739
Base-Backbone interact. energy: -0.844
local terms energy: -85.829400
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -307.443798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.443798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.443798 (E_RNA)
where:
Base-Base interactions energy: -223.969
where: short stacking energy: -90.708
Base-Backbone interact. energy: -0.049
local terms energy: -83.426292
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -22.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -305.359325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.359325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.359325 (E_RNA)
where:
Base-Base interactions energy: -217.418
where: short stacking energy: -96.840
Base-Backbone interact. energy: -0.101
local terms energy: -87.840048
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -23.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -305.587849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.587849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.587849 (E_RNA)
where:
Base-Base interactions energy: -216.967
where: short stacking energy: -103.163
Base-Backbone interact. energy: -0.002
local terms energy: -88.618489
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -25.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -305.917791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.917791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.917791 (E_RNA)
where:
Base-Base interactions energy: -226.102
where: short stacking energy: -99.131
Base-Backbone interact. energy: -0.102
local terms energy: -79.713342
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -22.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -241.362262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.362262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.362262 (E_RNA)
where:
Base-Base interactions energy: -160.442
where: short stacking energy: -95.255
Base-Backbone interact. energy: -1.454
local terms energy: -79.465721
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -211.505076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.505076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.505076 (E_RNA)
where:
Base-Base interactions energy: -140.480
where: short stacking energy: -68.866
Base-Backbone interact. energy: -1.040
local terms energy: -69.985240
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -12.352
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: 339
Temperature: 1.250000
Total energy: -200.392781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.392781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.392781 (E_RNA)
where:
Base-Base interactions energy: -139.108
where: short stacking energy: -60.635
Base-Backbone interact. energy: -0.510
local terms energy: -60.775191
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -214.359235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.359235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.359235 (E_RNA)
where:
Base-Base interactions energy: -150.194
where: short stacking energy: -75.332
Base-Backbone interact. energy: -0.082
local terms energy: -64.083761
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -10.767
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: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -140.716705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.716705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.716705 (E_RNA)
where:
Base-Base interactions energy: -86.540
where: short stacking energy: -51.256
Base-Backbone interact. energy: -0.150
local terms energy: -54.026911
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -9.949
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: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -308.174813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.174813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.174813 (E_RNA)
where:
Base-Base interactions energy: -226.116
where: short stacking energy: -99.178
Base-Backbone interact. energy: -0.004
local terms energy: -82.055581
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -310.624869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.624869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.624869 (E_RNA)
where:
Base-Base interactions energy: -226.290
where: short stacking energy: -92.922
Base-Backbone interact. energy: -0.268
local terms energy: -84.067324
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -21.329
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: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -301.549687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.549687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.549687 (E_RNA)
where:
Base-Base interactions energy: -218.111
where: short stacking energy: -101.350
Base-Backbone interact. energy: -0.014
local terms energy: -83.425265
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -23.895
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: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -303.432874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.432874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.432874 (E_RNA)
where:
Base-Base interactions energy: -221.885
where: short stacking energy: -103.964
Base-Backbone interact. energy: -0.007
local terms energy: -81.540719
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -23.829
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: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -302.246326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.246326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.246326 (E_RNA)
where:
Base-Base interactions energy: -211.768
where: short stacking energy: -90.699
Base-Backbone interact. energy: -0.001
local terms energy: -90.477677
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -25.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -215.444567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.444567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.444567 (E_RNA)
where:
Base-Base interactions energy: -137.994
where: short stacking energy: -60.539
Base-Backbone interact. energy: -0.614
local terms energy: -76.836327
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -11.183
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: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -210.650032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.650032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.650032 (E_RNA)
where:
Base-Base interactions energy: -148.015
where: short stacking energy: -70.412
Base-Backbone interact. energy: -0.846
local terms energy: -61.788651
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -7.744
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: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -198.334044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.334044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.334044 (E_RNA)
where:
Base-Base interactions energy: -137.877
where: short stacking energy: -80.979
Base-Backbone interact. energy: 1.104
local terms energy: -61.560722
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -12.743
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: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -204.330835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.330835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.330835 (E_RNA)
where:
Base-Base interactions energy: -149.193
where: short stacking energy: -61.744
Base-Backbone interact. energy: -0.074
local terms energy: -55.063717
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -169.744664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.744664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.744664 (E_RNA)
where:
Base-Base interactions energy: -114.929
where: short stacking energy: -61.204
Base-Backbone interact. energy: -0.067
local terms energy: -54.747978
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -311.811625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.811625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.811625 (E_RNA)
where:
Base-Base interactions energy: -219.473
where: short stacking energy: -95.879
Base-Backbone interact. energy: -0.096
local terms energy: -92.243400
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -311.971108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.971108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.971108 (E_RNA)
where:
Base-Base interactions energy: -220.719
where: short stacking energy: -105.686
Base-Backbone interact. energy: 0.045
local terms energy: -91.297698
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -24.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -307.548465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.548465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.548465 (E_RNA)
where:
Base-Base interactions energy: -221.117
where: short stacking energy: -97.045
Base-Backbone interact. energy: -0.195
local terms energy: -86.236785
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -23.735
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: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -302.132413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.132413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.132413 (E_RNA)
where:
Base-Base interactions energy: -220.385
where: short stacking energy: -92.477
Base-Backbone interact. energy: -0.087
local terms energy: -81.660241
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -295.931101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.931101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.931101 (E_RNA)
where:
Base-Base interactions energy: -213.059
where: short stacking energy: -86.196
Base-Backbone interact. energy: -0.031
local terms energy: -82.840652
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -209.027667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.027667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.027667 (E_RNA)
where:
Base-Base interactions energy: -140.701
where: short stacking energy: -65.801
Base-Backbone interact. energy: -0.642
local terms energy: -67.685128
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -226.748293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.748293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.748293 (E_RNA)
where:
Base-Base interactions energy: -150.481
where: short stacking energy: -76.591
Base-Backbone interact. energy: -0.638
local terms energy: -75.629495
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -229.326464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.326464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.326464 (E_RNA)
where:
Base-Base interactions energy: -161.519
where: short stacking energy: -80.405
Base-Backbone interact. energy: -0.061
local terms energy: -67.746732
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -9.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -183.059222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.059222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.059222 (E_RNA)
where:
Base-Base interactions energy: -113.302
where: short stacking energy: -55.452
Base-Backbone interact. energy: -0.129
local terms energy: -69.628938
where:
bonds (distance) C4'-P energy: -8.140
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -173.425391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.425391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.425391 (E_RNA)
where:
Base-Base interactions energy: -98.128
where: short stacking energy: -49.931
Base-Backbone interact. energy: -0.053
local terms energy: -75.244028
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -315.318396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.318396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.318396 (E_RNA)
where:
Base-Base interactions energy: -232.180
where: short stacking energy: -98.662
Base-Backbone interact. energy: -0.011
local terms energy: -83.127743
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -307.246128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.246128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.246128 (E_RNA)
where:
Base-Base interactions energy: -218.475
where: short stacking energy: -90.475
Base-Backbone interact. energy: -0.094
local terms energy: -88.677484
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -303.187984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.187984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.187984 (E_RNA)
where:
Base-Base interactions energy: -223.795
where: short stacking energy: -97.549
Base-Backbone interact. energy: -0.083
local terms energy: -79.309829
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -300.247995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.247995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.247995 (E_RNA)
where:
Base-Base interactions energy: -220.019
where: short stacking energy: -100.079
Base-Backbone interact. energy: -0.097
local terms energy: -80.131404
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -24.698
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: 342
Temperature: 1.100000
Total energy: -297.913142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.913142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.913142 (E_RNA)
where:
Base-Base interactions energy: -212.450
where: short stacking energy: -89.318
Base-Backbone interact. energy: -0.080
local terms energy: -85.382956
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -203.437276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.437276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.437276 (E_RNA)
where:
Base-Base interactions energy: -141.487
where: short stacking energy: -58.354
Base-Backbone interact. energy: 0.202
local terms energy: -62.152325
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -229.380421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.380421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.380421 (E_RNA)
where:
Base-Base interactions energy: -152.688
where: short stacking energy: -79.698
Base-Backbone interact. energy: -0.226
local terms energy: -76.466405
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -17.779
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: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -202.162221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.162221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.162221 (E_RNA)
where:
Base-Base interactions energy: -126.911
where: short stacking energy: -72.084
Base-Backbone interact. energy: -0.139
local terms energy: -75.112222
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -181.628323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.628323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.628323 (E_RNA)
where:
Base-Base interactions energy: -114.641
where: short stacking energy: -49.448
Base-Backbone interact. energy: -0.261
local terms energy: -66.725776
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -12.414
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: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -187.874809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.874809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.874809 (E_RNA)
where:
Base-Base interactions energy: -128.554
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.154
local terms energy: -59.166134
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -318.582821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.582821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.582821 (E_RNA)
where:
Base-Base interactions energy: -225.965
where: short stacking energy: -103.237
Base-Backbone interact. energy: -0.158
local terms energy: -92.459721
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -22.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -308.256634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.256634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.256634 (E_RNA)
where:
Base-Base interactions energy: -221.841
where: short stacking energy: -92.715
Base-Backbone interact. energy: -0.152
local terms energy: -86.264142
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -25.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -312.716676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.716676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.716676 (E_RNA)
where:
Base-Base interactions energy: -239.370
where: short stacking energy: -103.555
Base-Backbone interact. energy: -0.007
local terms energy: -73.340250
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -23.318
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: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -292.186197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.186197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.186197 (E_RNA)
where:
Base-Base interactions energy: -207.633
where: short stacking energy: -83.005
Base-Backbone interact. energy: 0.163
local terms energy: -84.715819
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -300.033534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.033534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.033534 (E_RNA)
where:
Base-Base interactions energy: -210.111
where: short stacking energy: -101.322
Base-Backbone interact. energy: -0.004
local terms energy: -89.918638
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -26.119
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: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -238.310124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.310124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.310124 (E_RNA)
where:
Base-Base interactions energy: -156.186
where: short stacking energy: -79.582
Base-Backbone interact. energy: -0.827
local terms energy: -81.296488
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -213.479936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.479936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.479936 (E_RNA)
where:
Base-Base interactions energy: -145.734
where: short stacking energy: -74.786
Base-Backbone interact. energy: -0.042
local terms energy: -67.703515
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -9.990
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: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -186.935829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.935829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.935829 (E_RNA)
where:
Base-Base interactions energy: -109.913
where: short stacking energy: -59.673
Base-Backbone interact. energy: -0.602
local terms energy: -76.421637
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -11.223
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: 9, replica: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -188.825848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.825848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.825848 (E_RNA)
where:
Base-Base interactions energy: -128.108
where: short stacking energy: -63.990
Base-Backbone interact. energy: 0.665
local terms energy: -61.382700
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -10.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -187.036035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.036035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.036035 (E_RNA)
where:
Base-Base interactions energy: -119.852
where: short stacking energy: -50.534
Base-Backbone interact. energy: -2.437
local terms energy: -64.747380
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -10.002
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: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -314.578305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.578305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.578305 (E_RNA)
where:
Base-Base interactions energy: -223.956
where: short stacking energy: -106.732
Base-Backbone interact. energy: -0.000
local terms energy: -90.621938
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -22.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -313.351184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.351184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.351184 (E_RNA)
where:
Base-Base interactions energy: -236.082
where: short stacking energy: -106.490
Base-Backbone interact. energy: -0.070
local terms energy: -77.198968
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -25.711
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: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -294.516148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.516148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.516148 (E_RNA)
where:
Base-Base interactions energy: -212.075
where: short stacking energy: -100.405
Base-Backbone interact. energy: -0.095
local terms energy: -82.346363
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -25.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -308.492794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.492794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.492794 (E_RNA)
where:
Base-Base interactions energy: -227.061
where: short stacking energy: -93.074
Base-Backbone interact. energy: -0.011
local terms energy: -81.420803
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -24.460
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: 344
Temperature: 1.100000
Total energy: -289.924076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.924076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.924076 (E_RNA)
where:
Base-Base interactions energy: -204.688
where: short stacking energy: -88.551
Base-Backbone interact. energy: -0.071
local terms energy: -85.164548
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -21.569
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: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -243.307739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.307739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.307739 (E_RNA)
where:
Base-Base interactions energy: -169.197
where: short stacking energy: -84.823
Base-Backbone interact. energy: -0.435
local terms energy: -73.675954
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -8.207
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: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -180.565808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.565808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.565808 (E_RNA)
where:
Base-Base interactions energy: -112.524
where: short stacking energy: -51.215
Base-Backbone interact. energy: -0.733
local terms energy: -67.308134
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -7.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -205.686130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.686130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.686130 (E_RNA)
where:
Base-Base interactions energy: -131.233
where: short stacking energy: -66.819
Base-Backbone interact. energy: -0.002
local terms energy: -74.451070
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -22.039
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: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -198.140769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.140769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.140769 (E_RNA)
where:
Base-Base interactions energy: -137.316
where: short stacking energy: -75.360
Base-Backbone interact. energy: -0.041
local terms energy: -60.783260
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -5.470
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: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -182.262599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.262599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.262599 (E_RNA)
where:
Base-Base interactions energy: -127.584
where: short stacking energy: -56.058
Base-Backbone interact. energy: -0.154
local terms energy: -54.525382
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: 0.492
tors. eta vs tors. theta energy: -12.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -313.105526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.105526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.105526 (E_RNA)
where:
Base-Base interactions energy: -226.279
where: short stacking energy: -90.007
Base-Backbone interact. energy: -0.037
local terms energy: -86.789479
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -21.315
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: 2, replica: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -304.549947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.549947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.549947 (E_RNA)
where:
Base-Base interactions energy: -220.661
where: short stacking energy: -86.134
Base-Backbone interact. energy: -0.069
local terms energy: -83.819678
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -22.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -316.351399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.351399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.351399 (E_RNA)
where:
Base-Base interactions energy: -232.881
where: short stacking energy: -102.779
Base-Backbone interact. energy: -0.005
local terms energy: -83.465992
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -24.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -301.469212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.469212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.469212 (E_RNA)
where:
Base-Base interactions energy: -219.800
where: short stacking energy: -93.262
Base-Backbone interact. energy: -0.025
local terms energy: -81.643780
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -26.432
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: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -306.717934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.717934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.717934 (E_RNA)
where:
Base-Base interactions energy: -222.288
where: short stacking energy: -91.900
Base-Backbone interact. energy: -0.052
local terms energy: -84.378368
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -258.443185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.443185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.443185 (E_RNA)
where:
Base-Base interactions energy: -168.783
where: short stacking energy: -93.805
Base-Backbone interact. energy: -1.275
local terms energy: -88.385048
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -22.034
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: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -175.559793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.559793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.559793 (E_RNA)
where:
Base-Base interactions energy: -111.511
where: short stacking energy: -63.502
Base-Backbone interact. energy: -0.258
local terms energy: -63.790897
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -209.948930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.948930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.948930 (E_RNA)
where:
Base-Base interactions energy: -140.993
where: short stacking energy: -74.297
Base-Backbone interact. energy: -0.149
local terms energy: -68.807165
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -13.829
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: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -203.553933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.553933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.553933 (E_RNA)
where:
Base-Base interactions energy: -135.577
where: short stacking energy: -84.573
Base-Backbone interact. energy: -0.962
local terms energy: -67.014996
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -190.479688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.479688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.479688 (E_RNA)
where:
Base-Base interactions energy: -122.407
where: short stacking energy: -58.425
Base-Backbone interact. energy: -0.164
local terms energy: -67.908368
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -11.263
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: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -306.681182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.681182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.681182 (E_RNA)
where:
Base-Base interactions energy: -214.917
where: short stacking energy: -100.460
Base-Backbone interact. energy: -0.280
local terms energy: -91.484726
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -26.433
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: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -308.612255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.612255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.612255 (E_RNA)
where:
Base-Base interactions energy: -224.049
where: short stacking energy: -91.193
Base-Backbone interact. energy: -0.144
local terms energy: -84.418804
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -15.690
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: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -308.675658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.675658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.675658 (E_RNA)
where:
Base-Base interactions energy: -229.816
where: short stacking energy: -99.756
Base-Backbone interact. energy: -0.643
local terms energy: -78.216549
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -23.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -302.073306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.073306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.073306 (E_RNA)
where:
Base-Base interactions energy: -212.227
where: short stacking energy: -95.616
Base-Backbone interact. energy: -0.294
local terms energy: -89.551838
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -22.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -260.574431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.574431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.574431 (E_RNA)
where:
Base-Base interactions energy: -177.628
where: short stacking energy: -88.213
Base-Backbone interact. energy: -1.816
local terms energy: -81.130646
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -20.313
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: 6, replica: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -292.403823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.403823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.403823 (E_RNA)
where:
Base-Base interactions energy: -205.804
where: short stacking energy: -88.673
Base-Backbone interact. energy: 0.404
local terms energy: -87.003903
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -23.649
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: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -223.844146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.844146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.844146 (E_RNA)
where:
Base-Base interactions energy: -147.781
where: short stacking energy: -67.570
Base-Backbone interact. energy: 0.411
local terms energy: -76.474185
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -173.199381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.199381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.199381 (E_RNA)
where:
Base-Base interactions energy: -122.261
where: short stacking energy: -46.329
Base-Backbone interact. energy: -0.179
local terms energy: -50.759327
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -203.648784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.648784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.648784 (E_RNA)
where:
Base-Base interactions energy: -144.725
where: short stacking energy: -62.813
Base-Backbone interact. energy: -0.140
local terms energy: -58.784191
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -194.547868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.547868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.547868 (E_RNA)
where:
Base-Base interactions energy: -123.360
where: short stacking energy: -64.199
Base-Backbone interact. energy: -0.028
local terms energy: -71.159263
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -11.193
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: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -306.772924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.772924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.772924 (E_RNA)
where:
Base-Base interactions energy: -224.581
where: short stacking energy: -101.160
Base-Backbone interact. energy: -0.000
local terms energy: -82.191835
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -20.992
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: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -316.619758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.619758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.619758 (E_RNA)
where:
Base-Base interactions energy: -224.131
where: short stacking energy: -96.634
Base-Backbone interact. energy: -0.001
local terms energy: -92.487524
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -300.714120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.714120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.714120 (E_RNA)
where:
Base-Base interactions energy: -219.172
where: short stacking energy: -90.566
Base-Backbone interact. energy: -0.038
local terms energy: -81.503183
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -22.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -261.426986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.426986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.426986 (E_RNA)
where:
Base-Base interactions energy: -171.477
where: short stacking energy: -81.595
Base-Backbone interact. energy: -0.005
local terms energy: -89.944351
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -21.711
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: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -297.288804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.288804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.288804 (E_RNA)
where:
Base-Base interactions energy: -224.714
where: short stacking energy: -95.127
Base-Backbone interact. energy: -0.001
local terms energy: -72.573993
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -22.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -294.512312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.512312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.512312 (E_RNA)
where:
Base-Base interactions energy: -215.843
where: short stacking energy: -96.079
Base-Backbone interact. energy: -0.001
local terms energy: -78.667833
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -24.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -217.345409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.345409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.345409 (E_RNA)
where:
Base-Base interactions energy: -147.295
where: short stacking energy: -75.502
Base-Backbone interact. energy: 0.578
local terms energy: -70.628775
where:
bonds (distance) C4'-P energy: -7.050
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -223.909975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.909975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.909975 (E_RNA)
where:
Base-Base interactions energy: -159.421
where: short stacking energy: -67.286
Base-Backbone interact. energy: -0.973
local terms energy: -63.515300
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -167.118322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.118322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.118322 (E_RNA)
where:
Base-Base interactions energy: -112.418
where: short stacking energy: -52.009
Base-Backbone interact. energy: -0.398
local terms energy: -54.302642
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -205.954816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.954816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.954816 (E_RNA)
where:
Base-Base interactions energy: -139.314
where: short stacking energy: -67.159
Base-Backbone interact. energy: -1.301
local terms energy: -65.340020
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -12.025
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: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -321.289736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.289736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.289736 (E_RNA)
where:
Base-Base interactions energy: -237.163
where: short stacking energy: -100.721
Base-Backbone interact. energy: -0.035
local terms energy: -84.091670
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -313.231278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.231278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.231278 (E_RNA)
where:
Base-Base interactions energy: -221.077
where: short stacking energy: -102.842
Base-Backbone interact. energy: -0.240
local terms energy: -91.913623
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -23.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -303.136349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.136349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.136349 (E_RNA)
where:
Base-Base interactions energy: -218.969
where: short stacking energy: -102.115
Base-Backbone interact. energy: 0.656
local terms energy: -84.823010
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -259.172229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.172229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.172229 (E_RNA)
where:
Base-Base interactions energy: -177.272
where: short stacking energy: -85.283
Base-Backbone interact. energy: -1.730
local terms energy: -80.170188
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -302.870302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.870302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.870302 (E_RNA)
where:
Base-Base interactions energy: -215.551
where: short stacking energy: -93.043
Base-Backbone interact. energy: -0.367
local terms energy: -86.951910
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -24.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -292.077286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.077286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.077286 (E_RNA)
where:
Base-Base interactions energy: -224.520
where: short stacking energy: -93.685
Base-Backbone interact. energy: -0.007
local terms energy: -67.550354
where:
bonds (distance) C4'-P energy: -6.344
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -24.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -244.506952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.506952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.506952 (E_RNA)
where:
Base-Base interactions energy: -187.852
where: short stacking energy: -78.578
Base-Backbone interact. energy: -0.240
local terms energy: -56.414403
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -4.280
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -13.901
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: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -217.026062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.026062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.026062 (E_RNA)
where:
Base-Base interactions energy: -147.056
where: short stacking energy: -70.597
Base-Backbone interact. energy: 0.648
local terms energy: -70.617835
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -191.851162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.851162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.851162 (E_RNA)
where:
Base-Base interactions energy: -126.636
where: short stacking energy: -51.582
Base-Backbone interact. energy: -0.222
local terms energy: -64.993391
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -7.428
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: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -166.924949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.924949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.924949 (E_RNA)
where:
Base-Base interactions energy: -94.155
where: short stacking energy: -42.542
Base-Backbone interact. energy: 4.978
local terms energy: -77.748106
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -8.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -328.246634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.246634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.246634 (E_RNA)
where:
Base-Base interactions energy: -238.560
where: short stacking energy: -102.088
Base-Backbone interact. energy: -0.271
local terms energy: -89.416021
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -25.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -312.920785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.920785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.920785 (E_RNA)
where:
Base-Base interactions energy: -229.539
where: short stacking energy: -91.964
Base-Backbone interact. energy: -0.048
local terms energy: -83.334579
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -311.303136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.303136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.303136 (E_RNA)
where:
Base-Base interactions energy: -218.698
where: short stacking energy: -98.364
Base-Backbone interact. energy: -0.280
local terms energy: -92.324978
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -314.538713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.538713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.538713 (E_RNA)
where:
Base-Base interactions energy: -229.757
where: short stacking energy: -92.712
Base-Backbone interact. energy: -0.066
local terms energy: -84.715527
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -25.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -250.911624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.911624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.911624 (E_RNA)
where:
Base-Base interactions energy: -169.215
where: short stacking energy: -86.920
Base-Backbone interact. energy: -0.165
local terms energy: -81.531786
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -22.904
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: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -299.733725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.733725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.733725 (E_RNA)
where:
Base-Base interactions energy: -210.478
where: short stacking energy: -83.933
Base-Backbone interact. energy: -0.023
local terms energy: -89.231812
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -241.014391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.014391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.014391 (E_RNA)
where:
Base-Base interactions energy: -178.343
where: short stacking energy: -72.840
Base-Backbone interact. energy: 4.970
local terms energy: -67.641500
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -13.443
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: 349
Temperature: 1.250000
Total energy: -216.385164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.385164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.385164 (E_RNA)
where:
Base-Base interactions energy: -146.948
where: short stacking energy: -66.754
Base-Backbone interact. energy: -1.545
local terms energy: -67.891711
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -17.711
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: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -198.987019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.987019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.987019 (E_RNA)
where:
Base-Base interactions energy: -131.105
where: short stacking energy: -62.804
Base-Backbone interact. energy: -0.107
local terms energy: -67.775003
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -209.911275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.911275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.911275 (E_RNA)
where:
Base-Base interactions energy: -149.516
where: short stacking energy: -60.404
Base-Backbone interact. energy: -0.118
local terms energy: -60.277145
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -9.302
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -4.088
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: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -323.297160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.297160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.297160 (E_RNA)
where:
Base-Base interactions energy: -236.593
where: short stacking energy: -103.014
Base-Backbone interact. energy: -0.117
local terms energy: -86.587437
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -24.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -304.843303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.843303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.843303 (E_RNA)
where:
Base-Base interactions energy: -228.103
where: short stacking energy: -92.944
Base-Backbone interact. energy: -0.463
local terms energy: -76.277293
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -20.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -313.092749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.092749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.092749 (E_RNA)
where:
Base-Base interactions energy: -227.968
where: short stacking energy: -102.726
Base-Backbone interact. energy: 0.181
local terms energy: -85.305503
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -21.888
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: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -298.015381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.015381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.015381 (E_RNA)
where:
Base-Base interactions energy: -215.693
where: short stacking energy: -96.742
Base-Backbone interact. energy: 0.592
local terms energy: -82.913906
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -23.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -300.397385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.397385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.397385 (E_RNA)
where:
Base-Base interactions energy: -224.044
where: short stacking energy: -95.757
Base-Backbone interact. energy: -0.399
local terms energy: -75.954131
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -20.895
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: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -249.410176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.410176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.410176 (E_RNA)
where:
Base-Base interactions energy: -161.873
where: short stacking energy: -91.041
Base-Backbone interact. energy: -1.208
local terms energy: -86.328970
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -240.731160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.731160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.731160 (E_RNA)
where:
Base-Base interactions energy: -161.973
where: short stacking energy: -86.034
Base-Backbone interact. energy: -0.333
local terms energy: -78.426013
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -243.310322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.310322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.310322 (E_RNA)
where:
Base-Base interactions energy: -179.112
where: short stacking energy: -79.023
Base-Backbone interact. energy: -1.212
local terms energy: -62.986863
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -11.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -225.663594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.663594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.663594 (E_RNA)
where:
Base-Base interactions energy: -160.240
where: short stacking energy: -71.506
Base-Backbone interact. energy: -0.203
local terms energy: -65.220909
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -10.212
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -192.549393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.549393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.549393 (E_RNA)
where:
Base-Base interactions energy: -132.950
where: short stacking energy: -67.127
Base-Backbone interact. energy: -0.019
local terms energy: -59.580458
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -15.068
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: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -313.729909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.729909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.729909 (E_RNA)
where:
Base-Base interactions energy: -240.206
where: short stacking energy: -103.864
Base-Backbone interact. energy: -0.149
local terms energy: -73.375144
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -313.010943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.010943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.010943 (E_RNA)
where:
Base-Base interactions energy: -228.389
where: short stacking energy: -104.412
Base-Backbone interact. energy: -0.001
local terms energy: -84.620648
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -23.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -302.229953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.229953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.229953 (E_RNA)
where:
Base-Base interactions energy: -218.790
where: short stacking energy: -94.054
Base-Backbone interact. energy: 0.776
local terms energy: -84.215606
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -21.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -304.946887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.946887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.946887 (E_RNA)
where:
Base-Base interactions energy: -226.585
where: short stacking energy: -99.050
Base-Backbone interact. energy: -0.038
local terms energy: -78.323471
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -24.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -299.170831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.170831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.170831 (E_RNA)
where:
Base-Base interactions energy: -218.151
where: short stacking energy: -79.121
Base-Backbone interact. energy: 0.008
local terms energy: -81.027450
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -257.816373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.816373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.816373 (E_RNA)
where:
Base-Base interactions energy: -174.251
where: short stacking energy: -91.506
Base-Backbone interact. energy: -0.918
local terms energy: -82.647151
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -24.186
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: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -236.525303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.525303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.525303 (E_RNA)
where:
Base-Base interactions energy: -151.177
where: short stacking energy: -77.808
Base-Backbone interact. energy: -0.494
local terms energy: -84.854008
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -20.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -262.614315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.614315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.614315 (E_RNA)
where:
Base-Base interactions energy: -199.172
where: short stacking energy: -76.674
Base-Backbone interact. energy: -0.446
local terms energy: -62.996544
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -225.816862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.816862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.816862 (E_RNA)
where:
Base-Base interactions energy: -171.298
where: short stacking energy: -73.116
Base-Backbone interact. energy: -0.002
local terms energy: -54.516862
where:
bonds (distance) C4'-P energy: -7.498
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: -17.143
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: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -212.536455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.536455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.536455 (E_RNA)
where:
Base-Base interactions energy: -148.830
where: short stacking energy: -69.652
Base-Backbone interact. energy: -0.195
local terms energy: -63.511901
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -10.548
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: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -321.275248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.275248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.275248 (E_RNA)
where:
Base-Base interactions energy: -228.920
where: short stacking energy: -101.811
Base-Backbone interact. energy: -0.324
local terms energy: -92.031820
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -23.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -303.894485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.894485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.894485 (E_RNA)
where:
Base-Base interactions energy: -213.311
where: short stacking energy: -89.713
Base-Backbone interact. energy: -0.017
local terms energy: -90.566466
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -24.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -304.954323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.954323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.954323 (E_RNA)
where:
Base-Base interactions energy: -225.254
where: short stacking energy: -93.306
Base-Backbone interact. energy: -0.004
local terms energy: -79.696320
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -21.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -296.760779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.760779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.760779 (E_RNA)
where:
Base-Base interactions energy: -211.073
where: short stacking energy: -95.411
Base-Backbone interact. energy: -0.038
local terms energy: -85.649412
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -22.695
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: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -289.438964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.438964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.438964 (E_RNA)
where:
Base-Base interactions energy: -206.698
where: short stacking energy: -87.364
Base-Backbone interact. energy: -0.079
local terms energy: -82.662047
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -238.701697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.701697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.701697 (E_RNA)
where:
Base-Base interactions energy: -160.257
where: short stacking energy: -76.598
Base-Backbone interact. energy: -0.016
local terms energy: -78.428850
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -257.182845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.182845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.182845 (E_RNA)
where:
Base-Base interactions energy: -191.390
where: short stacking energy: -76.980
Base-Backbone interact. energy: -0.983
local terms energy: -64.810158
where:
bonds (distance) C4'-P energy: -8.763
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -13.350
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: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -238.747635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.747635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.747635 (E_RNA)
where:
Base-Base interactions energy: -167.773
where: short stacking energy: -82.584
Base-Backbone interact. energy: -0.508
local terms energy: -70.466547
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -6.832
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: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -195.394117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.394117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.394117 (E_RNA)
where:
Base-Base interactions energy: -137.079
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.144
local terms energy: -58.171714
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -199.611901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.611901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.611901 (E_RNA)
where:
Base-Base interactions energy: -133.813
where: short stacking energy: -63.349
Base-Backbone interact. energy: -0.147
local terms energy: -65.652572
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -12.364
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: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -316.872709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.872709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.872709 (E_RNA)
where:
Base-Base interactions energy: -232.047
where: short stacking energy: -105.978
Base-Backbone interact. energy: -0.163
local terms energy: -84.662625
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -23.909
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: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -316.967861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.967861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.967861 (E_RNA)
where:
Base-Base interactions energy: -228.731
where: short stacking energy: -101.429
Base-Backbone interact. energy: -0.025
local terms energy: -88.211945
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -22.898
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: 3, replica: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -311.513487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.513487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.513487 (E_RNA)
where:
Base-Base interactions energy: -224.200
where: short stacking energy: -99.769
Base-Backbone interact. energy: -0.309
local terms energy: -87.004221
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -295.073473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.073473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.073473 (E_RNA)
where:
Base-Base interactions energy: -208.173
where: short stacking energy: -97.927
Base-Backbone interact. energy: 0.010
local terms energy: -86.910499
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -20.785
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: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -300.927327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.927327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.927327 (E_RNA)
where:
Base-Base interactions energy: -223.130
where: short stacking energy: -104.527
Base-Backbone interact. energy: -0.009
local terms energy: -77.788201
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -25.477
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: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -251.367391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.367391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.367391 (E_RNA)
where:
Base-Base interactions energy: -187.626
where: short stacking energy: -77.692
Base-Backbone interact. energy: -0.932
local terms energy: -62.809055
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -225.626442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.626442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.626442 (E_RNA)
where:
Base-Base interactions energy: -149.230
where: short stacking energy: -69.935
Base-Backbone interact. energy: -0.628
local terms energy: -75.767909
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -211.481111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.481111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.481111 (E_RNA)
where:
Base-Base interactions energy: -133.551
where: short stacking energy: -73.967
Base-Backbone interact. energy: -0.221
local terms energy: -77.708746
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -14.136
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: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -219.343012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.343012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.343012 (E_RNA)
where:
Base-Base interactions energy: -154.669
where: short stacking energy: -83.689
Base-Backbone interact. energy: -0.144
local terms energy: -64.529407
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -9.292
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -11.058
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: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -130.118623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.118623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.118623 (E_RNA)
where:
Base-Base interactions energy: -87.787
where: short stacking energy: -39.424
Base-Backbone interact. energy: -1.018
local terms energy: -41.314326
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -7.393
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: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -319.872840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.872840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.872840 (E_RNA)
where:
Base-Base interactions energy: -230.928
where: short stacking energy: -101.562
Base-Backbone interact. energy: -0.002
local terms energy: -88.942848
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -26.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -320.713479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.713479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.713479 (E_RNA)
where:
Base-Base interactions energy: -233.008
where: short stacking energy: -103.330
Base-Backbone interact. energy: -0.015
local terms energy: -87.689851
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -22.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -308.376235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.376235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.376235 (E_RNA)
where:
Base-Base interactions energy: -227.341
where: short stacking energy: -101.157
Base-Backbone interact. energy: -0.000
local terms energy: -81.035353
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -21.836
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: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -300.941087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.941087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.941087 (E_RNA)
where:
Base-Base interactions energy: -217.537
where: short stacking energy: -101.200
Base-Backbone interact. energy: -0.307
local terms energy: -83.096785
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -24.468
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: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -297.099925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.099925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.099925 (E_RNA)
where:
Base-Base interactions energy: -216.907
where: short stacking energy: -92.822
Base-Backbone interact. energy: -0.002
local terms energy: -80.190774
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -22.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -248.294951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.294951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.294951 (E_RNA)
where:
Base-Base interactions energy: -178.861
where: short stacking energy: -72.159
Base-Backbone interact. energy: -1.061
local terms energy: -68.372313
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -14.294
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: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -239.820587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.820587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.820587 (E_RNA)
where:
Base-Base interactions energy: -166.285
where: short stacking energy: -83.162
Base-Backbone interact. energy: 3.042
local terms energy: -76.577738
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -19.518
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: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -204.669393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.669393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.669393 (E_RNA)
where:
Base-Base interactions energy: -132.598
where: short stacking energy: -69.803
Base-Backbone interact. energy: -0.320
local terms energy: -71.751559
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -13.383
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: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -205.187501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.187501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.187501 (E_RNA)
where:
Base-Base interactions energy: -143.590
where: short stacking energy: -64.319
Base-Backbone interact. energy: -1.936
local terms energy: -59.660925
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -104.746455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.746455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.746455 (E_RNA)
where:
Base-Base interactions energy: -43.150
where: short stacking energy: -43.150
Base-Backbone interact. energy: -0.254
local terms energy: -61.342472
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -317.249263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.249263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.249263 (E_RNA)
where:
Base-Base interactions energy: -223.482
where: short stacking energy: -99.738
Base-Backbone interact. energy: -0.000
local terms energy: -93.767012
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -24.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -311.876549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.876549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.876549 (E_RNA)
where:
Base-Base interactions energy: -232.534
where: short stacking energy: -99.952
Base-Backbone interact. energy: -0.028
local terms energy: -79.314710
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -307.756302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.756302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.756302 (E_RNA)
where:
Base-Base interactions energy: -217.803
where: short stacking energy: -97.906
Base-Backbone interact. energy: -0.006
local terms energy: -89.947265
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -22.413
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: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -297.273397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.273397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.273397 (E_RNA)
where:
Base-Base interactions energy: -220.109
where: short stacking energy: -96.522
Base-Backbone interact. energy: -0.021
local terms energy: -77.143629
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -23.532
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: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -286.057034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.057034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.057034 (E_RNA)
where:
Base-Base interactions energy: -201.096
where: short stacking energy: -82.252
Base-Backbone interact. energy: -0.038
local terms energy: -84.923146
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -18.879
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: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -259.538983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.538983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.538983 (E_RNA)
where:
Base-Base interactions energy: -189.545
where: short stacking energy: -72.916
Base-Backbone interact. energy: -0.488
local terms energy: -69.505827
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -7.558
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: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -238.772764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.772764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.772764 (E_RNA)
where:
Base-Base interactions energy: -175.201
where: short stacking energy: -90.466
Base-Backbone interact. energy: -0.124
local terms energy: -63.447677
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -3.687
tors. eta vs tors. theta energy: -21.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -212.972564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.972564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.972564 (E_RNA)
where:
Base-Base interactions energy: -139.814
where: short stacking energy: -69.996
Base-Backbone interact. energy: -0.002
local terms energy: -73.156285
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -16.121
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: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -194.079527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.079527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.079527 (E_RNA)
where:
Base-Base interactions energy: -128.017
where: short stacking energy: -64.662
Base-Backbone interact. energy: 0.274
local terms energy: -66.336323
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -107.652027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.652027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.652027 (E_RNA)
where:
Base-Base interactions energy: -58.610
where: short stacking energy: -37.328
Base-Backbone interact. energy: 7.282
local terms energy: -56.323645
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -9.626
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: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -310.283711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.283711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.283711 (E_RNA)
where:
Base-Base interactions energy: -224.417
where: short stacking energy: -101.981
Base-Backbone interact. energy: -0.158
local terms energy: -85.708939
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -23.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -304.111545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.111545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.111545 (E_RNA)
where:
Base-Base interactions energy: -218.188
where: short stacking energy: -100.825
Base-Backbone interact. energy: 0.225
local terms energy: -86.149248
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -319.043614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.043614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.043614 (E_RNA)
where:
Base-Base interactions energy: -233.702
where: short stacking energy: -101.429
Base-Backbone interact. energy: -0.008
local terms energy: -85.333162
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -25.065
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: 356
Temperature: 1.050000
Total energy: -301.990392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.990392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.990392 (E_RNA)
where:
Base-Base interactions energy: -217.166
where: short stacking energy: -97.766
Base-Backbone interact. energy: -0.005
local terms energy: -84.819656
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -24.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -291.081863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.081863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.081863 (E_RNA)
where:
Base-Base interactions energy: -214.393
where: short stacking energy: -92.494
Base-Backbone interact. energy: -0.002
local terms energy: -76.687495
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -256.659879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.659879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.659879 (E_RNA)
where:
Base-Base interactions energy: -187.307
where: short stacking energy: -76.218
Base-Backbone interact. energy: -0.301
local terms energy: -69.051156
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -11.056
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: 7, replica: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -196.457910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.457910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.457910 (E_RNA)
where:
Base-Base interactions energy: -129.855
where: short stacking energy: -69.080
Base-Backbone interact. energy: -0.670
local terms energy: -65.932671
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -249.169990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.169990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.169990 (E_RNA)
where:
Base-Base interactions energy: -166.881
where: short stacking energy: -78.066
Base-Backbone interact. energy: 0.568
local terms energy: -82.856280
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -20.750
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: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -212.037036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.037036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.037036 (E_RNA)
where:
Base-Base interactions energy: -143.893
where: short stacking energy: -76.678
Base-Backbone interact. energy: -0.139
local terms energy: -68.005064
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -14.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -105.520322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.520322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.520322 (E_RNA)
where:
Base-Base interactions energy: -58.571
where: short stacking energy: -35.982
Base-Backbone interact. energy: -0.391
local terms energy: -46.558192
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: 2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -309.905171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.905171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.905171 (E_RNA)
where:
Base-Base interactions energy: -218.847
where: short stacking energy: -101.071
Base-Backbone interact. energy: -0.018
local terms energy: -91.039807
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -313.452749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.452749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.452749 (E_RNA)
where:
Base-Base interactions energy: -222.625
where: short stacking energy: -106.701
Base-Backbone interact. energy: -0.002
local terms energy: -90.825374
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -300.575019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.575019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.575019 (E_RNA)
where:
Base-Base interactions energy: -209.340
where: short stacking energy: -92.739
Base-Backbone interact. energy: -0.016
local terms energy: -91.219586
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -25.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -303.153790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.153790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.153790 (E_RNA)
where:
Base-Base interactions energy: -224.304
where: short stacking energy: -103.275
Base-Backbone interact. energy: -0.368
local terms energy: -78.481765
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -22.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -302.052223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.052223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.052223 (E_RNA)
where:
Base-Base interactions energy: -220.022
where: short stacking energy: -97.162
Base-Backbone interact. energy: -0.298
local terms energy: -81.732027
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -25.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -259.430305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.430305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.430305 (E_RNA)
where:
Base-Base interactions energy: -191.856
where: short stacking energy: -76.118
Base-Backbone interact. energy: -0.442
local terms energy: -67.132517
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -11.368
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: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -203.937269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.937269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.937269 (E_RNA)
where:
Base-Base interactions energy: -134.930
where: short stacking energy: -71.253
Base-Backbone interact. energy: -0.098
local terms energy: -68.909415
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -11.307
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: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -242.765892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.765892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.765892 (E_RNA)
where:
Base-Base interactions energy: -167.621
where: short stacking energy: -86.812
Base-Backbone interact. energy: -0.079
local terms energy: -75.066021
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -22.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -188.601845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.601845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.601845 (E_RNA)
where:
Base-Base interactions energy: -136.129
where: short stacking energy: -55.648
Base-Backbone interact. energy: -0.150
local terms energy: -52.323259
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -7.530
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -122.346416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.346416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.346416 (E_RNA)
where:
Base-Base interactions energy: -63.679
where: short stacking energy: -52.190
Base-Backbone interact. energy: 0.363
local terms energy: -59.030553
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -310.376207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.376207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.376207 (E_RNA)
where:
Base-Base interactions energy: -218.345
where: short stacking energy: -102.306
Base-Backbone interact. energy: -0.063
local terms energy: -91.967823
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -21.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -302.490471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.490471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.490471 (E_RNA)
where:
Base-Base interactions energy: -217.259
where: short stacking energy: -88.190
Base-Backbone interact. energy: -0.098
local terms energy: -85.132878
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -10.632
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: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -308.058659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.058659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.058659 (E_RNA)
where:
Base-Base interactions energy: -222.474
where: short stacking energy: -97.718
Base-Backbone interact. energy: -0.002
local terms energy: -85.582101
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -24.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -301.055800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.055800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.055800 (E_RNA)
where:
Base-Base interactions energy: -208.024
where: short stacking energy: -94.072
Base-Backbone interact. energy: -0.129
local terms energy: -92.902888
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -21.054
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -23.199
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: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -278.988173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.988173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.988173 (E_RNA)
where:
Base-Base interactions energy: -199.055
where: short stacking energy: -77.314
Base-Backbone interact. energy: -0.237
local terms energy: -79.695933
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -15.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -291.015432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.015432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.015432 (E_RNA)
where:
Base-Base interactions energy: -203.303
where: short stacking energy: -93.362
Base-Backbone interact. energy: -0.001
local terms energy: -87.711623
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -24.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -239.698601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.698601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.698601 (E_RNA)
where:
Base-Base interactions energy: -159.436
where: short stacking energy: -82.343
Base-Backbone interact. energy: -0.286
local terms energy: -79.975927
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -210.581755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.581755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.581755 (E_RNA)
where:
Base-Base interactions energy: -139.812
where: short stacking energy: -73.248
Base-Backbone interact. energy: -0.112
local terms energy: -70.657366
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -209.546358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.546358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.546358 (E_RNA)
where:
Base-Base interactions energy: -137.480
where: short stacking energy: -77.688
Base-Backbone interact. energy: -1.595
local terms energy: -70.471679
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -104.499762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.499762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.499762 (E_RNA)
where:
Base-Base interactions energy: -46.507
where: short stacking energy: -46.507
Base-Backbone interact. energy: -0.285
local terms energy: -57.708256
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -315.791391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.791391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.791391 (E_RNA)
where:
Base-Base interactions energy: -222.023
where: short stacking energy: -108.407
Base-Backbone interact. energy: -0.002
local terms energy: -93.766749
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -26.141
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: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -311.296860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.296860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.296860 (E_RNA)
where:
Base-Base interactions energy: -219.810
where: short stacking energy: -99.947
Base-Backbone interact. energy: -0.001
local terms energy: -91.485788
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -26.131
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: 359
Temperature: 1.000000
Total energy: -299.051619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.051619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.051619 (E_RNA)
where:
Base-Base interactions energy: -220.852
where: short stacking energy: -86.388
Base-Backbone interact. energy: -0.040
local terms energy: -78.159542
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -289.196990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.196990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.196990 (E_RNA)
where:
Base-Base interactions energy: -213.167
where: short stacking energy: -81.351
Base-Backbone interact. energy: -0.303
local terms energy: -75.727464
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -303.393954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.393954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.393954 (E_RNA)
where:
Base-Base interactions energy: -213.144
where: short stacking energy: -100.257
Base-Backbone interact. energy: -0.007
local terms energy: -90.242946
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -25.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -300.925467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.925467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.925467 (E_RNA)
where:
Base-Base interactions energy: -216.184
where: short stacking energy: -101.992
Base-Backbone interact. energy: -0.243
local terms energy: -84.498971
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -11.363
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: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -222.825703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.825703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.825703 (E_RNA)
where:
Base-Base interactions energy: -147.566
where: short stacking energy: -63.943
Base-Backbone interact. energy: -0.080
local terms energy: -75.180259
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -17.449
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: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -219.425743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.425743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.425743 (E_RNA)
where:
Base-Base interactions energy: -145.375
where: short stacking energy: -63.803
Base-Backbone interact. energy: -0.071
local terms energy: -73.979631
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -202.349640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.349640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.349640 (E_RNA)
where:
Base-Base interactions energy: -132.288
where: short stacking energy: -75.498
Base-Backbone interact. energy: 0.218
local terms energy: -70.279391
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -19.188
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: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -86.465892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.465892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.465892 (E_RNA)
where:
Base-Base interactions energy: -44.401
where: short stacking energy: -34.260
Base-Backbone interact. energy: -0.189
local terms energy: -41.875059
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -10.029
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: 360
Temperature: 0.900000
Total energy: -318.047000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.047000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.047000 (E_RNA)
where:
Base-Base interactions energy: -230.724
where: short stacking energy: -104.231
Base-Backbone interact. energy: -0.007
local terms energy: -87.315807
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -26.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -309.044316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.044316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.044316 (E_RNA)
where:
Base-Base interactions energy: -223.833
where: short stacking energy: -98.610
Base-Backbone interact. energy: -0.129
local terms energy: -85.081754
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -24.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -280.583983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.583983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.583983 (E_RNA)
where:
Base-Base interactions energy: -197.497
where: short stacking energy: -71.449
Base-Backbone interact. energy: -0.544
local terms energy: -82.543301
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -297.264032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.264032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.264032 (E_RNA)
where:
Base-Base interactions energy: -221.973
where: short stacking energy: -98.513
Base-Backbone interact. energy: -0.110
local terms energy: -75.180535
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -22.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -301.086713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.086713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.086713 (E_RNA)
where:
Base-Base interactions energy: -212.561
where: short stacking energy: -98.234
Base-Backbone interact. energy: -0.007
local terms energy: -88.518767
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -25.861
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: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -287.129888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.129888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.129888 (E_RNA)
where:
Base-Base interactions energy: -212.347
where: short stacking energy: -100.915
Base-Backbone interact. energy: -0.001
local terms energy: -74.781857
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -10.021
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -224.211040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.211040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.211040 (E_RNA)
where:
Base-Base interactions energy: -154.974
where: short stacking energy: -81.831
Base-Backbone interact. energy: -0.634
local terms energy: -68.602332
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -231.952190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.952190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.952190 (E_RNA)
where:
Base-Base interactions energy: -163.878
where: short stacking energy: -70.946
Base-Backbone interact. energy: -0.005
local terms energy: -68.068424
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -212.331430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.331430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.331430 (E_RNA)
where:
Base-Base interactions energy: -144.202
where: short stacking energy: -78.840
Base-Backbone interact. energy: -0.636
local terms energy: -67.494266
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -126.769343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.769343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.769343 (E_RNA)
where:
Base-Base interactions energy: -82.736
where: short stacking energy: -52.554
Base-Backbone interact. energy: -1.142
local terms energy: -42.891318
where:
bonds (distance) C4'-P energy: -3.787
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -3.382
tors. eta vs tors. theta energy: -5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -318.520848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.520848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.520848 (E_RNA)
where:
Base-Base interactions energy: -241.051
where: short stacking energy: -102.006
Base-Backbone interact. energy: -0.022
local terms energy: -77.447473
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -25.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -322.924361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.924361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.924361 (E_RNA)
where:
Base-Base interactions energy: -234.516
where: short stacking energy: -103.739
Base-Backbone interact. energy: -0.024
local terms energy: -88.384369
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -23.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -293.053640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.053640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.053640 (E_RNA)
where:
Base-Base interactions energy: -210.687
where: short stacking energy: -84.771
Base-Backbone interact. energy: -0.632
local terms energy: -81.734273
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -299.790805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.790805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.790805 (E_RNA)
where:
Base-Base interactions energy: -211.005
where: short stacking energy: -99.053
Base-Backbone interact. energy: 1.407
local terms energy: -90.193115
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -13.072
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: 5, replica: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -298.428121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.428121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.428121 (E_RNA)
where:
Base-Base interactions energy: -213.871
where: short stacking energy: -89.799
Base-Backbone interact. energy: -0.025
local terms energy: -84.531790
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -21.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -297.528930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.528930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.528930 (E_RNA)
where:
Base-Base interactions energy: -213.759
where: short stacking energy: -104.020
Base-Backbone interact. energy: -0.002
local terms energy: -83.767887
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -25.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -215.013090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.013090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.013090 (E_RNA)
where:
Base-Base interactions energy: -148.186
where: short stacking energy: -72.119
Base-Backbone interact. energy: -0.118
local terms energy: -66.708997
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -213.535668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.535668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.535668 (E_RNA)
where:
Base-Base interactions energy: -150.901
where: short stacking energy: -71.607
Base-Backbone interact. energy: -0.086
local terms energy: -62.548151
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -219.203830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.203830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.203830 (E_RNA)
where:
Base-Base interactions energy: -151.518
where: short stacking energy: -72.671
Base-Backbone interact. energy: -1.022
local terms energy: -66.663919
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -98.172205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.172205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.172205 (E_RNA)
where:
Base-Base interactions energy: -47.286
where: short stacking energy: -42.498
Base-Backbone interact. energy: -0.146
local terms energy: -50.739493
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: 0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -314.862603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.862603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.862603 (E_RNA)
where:
Base-Base interactions energy: -239.425
where: short stacking energy: -101.083
Base-Backbone interact. energy: -0.001
local terms energy: -75.436531
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -4.935
tors. eta vs tors. theta energy: -23.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -321.377327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.377327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.377327 (E_RNA)
where:
Base-Base interactions energy: -234.163
where: short stacking energy: -109.153
Base-Backbone interact. energy: -0.001
local terms energy: -87.214042
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -23.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -301.470521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.470521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.470521 (E_RNA)
where:
Base-Base interactions energy: -215.953
where: short stacking energy: -91.590
Base-Backbone interact. energy: -0.188
local terms energy: -85.329332
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -23.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -283.094351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.094351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.094351 (E_RNA)
where:
Base-Base interactions energy: -211.563
where: short stacking energy: -89.933
Base-Backbone interact. energy: -1.011
local terms energy: -70.520005
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -12.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -291.738764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.738764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.738764 (E_RNA)
where:
Base-Base interactions energy: -213.731
where: short stacking energy: -94.186
Base-Backbone interact. energy: 0.971
local terms energy: -78.979057
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -23.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -292.272342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.272342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.272342 (E_RNA)
where:
Base-Base interactions energy: -206.330
where: short stacking energy: -84.468
Base-Backbone interact. energy: -0.076
local terms energy: -85.866095
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -23.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -213.965137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.965137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.965137 (E_RNA)
where:
Base-Base interactions energy: -154.514
where: short stacking energy: -77.492
Base-Backbone interact. energy: 4.503
local terms energy: -63.954673
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -2.472
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -194.601134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.601134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.601134 (E_RNA)
where:
Base-Base interactions energy: -134.505
where: short stacking energy: -73.205
Base-Backbone interact. energy: -0.610
local terms energy: -59.485722
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -13.198
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: 362
Temperature: 1.300000
Total energy: -205.139316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.139316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.139316 (E_RNA)
where:
Base-Base interactions energy: -143.666
where: short stacking energy: -61.455
Base-Backbone interact. energy: -0.050
local terms energy: -61.422904
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -95.739636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.739636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.739636 (E_RNA)
where:
Base-Base interactions energy: -47.098
where: short stacking energy: -43.357
Base-Backbone interact. energy: 2.154
local terms energy: -50.795803
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -315.940331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.940331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.940331 (E_RNA)
where:
Base-Base interactions energy: -228.353
where: short stacking energy: -95.748
Base-Backbone interact. energy: -0.005
local terms energy: -87.582690
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -25.731
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: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -303.023491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.023491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.023491 (E_RNA)
where:
Base-Base interactions energy: -212.933
where: short stacking energy: -99.996
Base-Backbone interact. energy: -0.002
local terms energy: -90.088685
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -24.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -312.568641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.568641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.568641 (E_RNA)
where:
Base-Base interactions energy: -225.395
where: short stacking energy: -110.028
Base-Backbone interact. energy: -0.001
local terms energy: -87.172996
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -24.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -302.212461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.212461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.212461 (E_RNA)
where:
Base-Base interactions energy: -214.623
where: short stacking energy: -100.818
Base-Backbone interact. energy: -0.004
local terms energy: -87.585502
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -25.826
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: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -272.902320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.902320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.902320 (E_RNA)
where:
Base-Base interactions energy: -202.996
where: short stacking energy: -85.132
Base-Backbone interact. energy: -0.607
local terms energy: -69.298985
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -11.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -290.958192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.958192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.958192 (E_RNA)
where:
Base-Base interactions energy: -208.187
where: short stacking energy: -91.526
Base-Backbone interact. energy: -0.001
local terms energy: -82.770638
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -10.469
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -23.473
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: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -212.398301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.398301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.398301 (E_RNA)
where:
Base-Base interactions energy: -145.530
where: short stacking energy: -84.457
Base-Backbone interact. energy: 0.845
local terms energy: -67.713611
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -10.287
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -19.745
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: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -230.253145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.253145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.253145 (E_RNA)
where:
Base-Base interactions energy: -161.824
where: short stacking energy: -76.997
Base-Backbone interact. energy: 0.439
local terms energy: -68.868487
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -184.624189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.624189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.624189 (E_RNA)
where:
Base-Base interactions energy: -112.633
where: short stacking energy: -60.886
Base-Backbone interact. energy: -0.046
local terms energy: -71.945636
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -10.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -106.154295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.154295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.154295 (E_RNA)
where:
Base-Base interactions energy: -54.015
where: short stacking energy: -36.658
Base-Backbone interact. energy: -0.324
local terms energy: -51.815175
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -312.585054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.585054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.585054 (E_RNA)
where:
Base-Base interactions energy: -221.833
where: short stacking energy: -94.387
Base-Backbone interact. energy: -0.025
local terms energy: -90.726813
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -22.794
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: 364
Temperature: 0.950000
Total energy: -317.500463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.500463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.500463 (E_RNA)
where:
Base-Base interactions energy: -226.941
where: short stacking energy: -99.304
Base-Backbone interact. energy: -0.554
local terms energy: -90.005468
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -26.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -312.281348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.281348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.281348 (E_RNA)
where:
Base-Base interactions energy: -225.999
where: short stacking energy: -107.806
Base-Backbone interact. energy: -0.212
local terms energy: -86.070476
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -26.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -297.164476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.164476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.164476 (E_RNA)
where:
Base-Base interactions energy: -208.087
where: short stacking energy: -99.668
Base-Backbone interact. energy: -0.007
local terms energy: -89.070371
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -26.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -292.339976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.339976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.339976 (E_RNA)
where:
Base-Base interactions energy: -207.078
where: short stacking energy: -94.830
Base-Backbone interact. energy: -0.348
local terms energy: -84.914390
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -269.897282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.897282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.897282 (E_RNA)
where:
Base-Base interactions energy: -202.481
where: short stacking energy: -81.017
Base-Backbone interact. energy: -0.350
local terms energy: -67.066825
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -13.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -214.050707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.050707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.050707 (E_RNA)
where:
Base-Base interactions energy: -151.038
where: short stacking energy: -70.996
Base-Backbone interact. energy: -0.136
local terms energy: -62.877027
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -12.745
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: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -205.560460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.560460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.560460 (E_RNA)
where:
Base-Base interactions energy: -125.510
where: short stacking energy: -72.632
Base-Backbone interact. energy: -0.114
local terms energy: -79.935775
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -191.044096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.044096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.044096 (E_RNA)
where:
Base-Base interactions energy: -126.501
where: short stacking energy: -68.691
Base-Backbone interact. energy: -0.069
local terms energy: -64.474532
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -101.612318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.612318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.612318 (E_RNA)
where:
Base-Base interactions energy: -53.586
where: short stacking energy: -40.168
Base-Backbone interact. energy: -0.387
local terms energy: -47.639078
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: 0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -309.230650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.230650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.230650 (E_RNA)
where:
Base-Base interactions energy: -219.322
where: short stacking energy: -93.075
Base-Backbone interact. energy: -0.081
local terms energy: -89.827595
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -23.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -306.587035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.587035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.587035 (E_RNA)
where:
Base-Base interactions energy: -213.747
where: short stacking energy: -100.639
Base-Backbone interact. energy: -0.088
local terms energy: -92.751624
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -25.228
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: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -308.117145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.117145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.117145 (E_RNA)
where:
Base-Base interactions energy: -223.307
where: short stacking energy: -104.392
Base-Backbone interact. energy: -0.050
local terms energy: -84.760207
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -25.134
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: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -302.235892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.235892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.235892 (E_RNA)
where:
Base-Base interactions energy: -219.791
where: short stacking energy: -88.881
Base-Backbone interact. energy: -0.054
local terms energy: -82.391385
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -24.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -292.101783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.101783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.101783 (E_RNA)
where:
Base-Base interactions energy: -208.310
where: short stacking energy: -96.019
Base-Backbone interact. energy: 0.054
local terms energy: -83.845175
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -269.783432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.783432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.783432 (E_RNA)
where:
Base-Base interactions energy: -194.434
where: short stacking energy: -78.834
Base-Backbone interact. energy: -0.428
local terms energy: -74.921167
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -11.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -213.791749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.791749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.791749 (E_RNA)
where:
Base-Base interactions energy: -141.478
where: short stacking energy: -71.148
Base-Backbone interact. energy: -0.049
local terms energy: -72.264620
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -12.890
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: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -204.639552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.639552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.639552 (E_RNA)
where:
Base-Base interactions energy: -129.060
where: short stacking energy: -62.988
Base-Backbone interact. energy: -0.077
local terms energy: -75.502636
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -12.086
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: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -207.326550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.326550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.326550 (E_RNA)
where:
Base-Base interactions energy: -133.654
where: short stacking energy: -64.757
Base-Backbone interact. energy: -1.042
local terms energy: -72.630208
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -103.674737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.674737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.674737 (E_RNA)
where:
Base-Base interactions energy: -46.683
where: short stacking energy: -35.082
Base-Backbone interact. energy: -0.171
local terms energy: -56.820171
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -314.545933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.545933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.545933 (E_RNA)
where:
Base-Base interactions energy: -231.027
where: short stacking energy: -99.540
Base-Backbone interact. energy: -0.041
local terms energy: -83.477897
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -308.792785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.792785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.792785 (E_RNA)
where:
Base-Base interactions energy: -217.300
where: short stacking energy: -96.047
Base-Backbone interact. energy: -0.003
local terms energy: -91.490412
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -24.438
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: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -301.169210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.169210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.169210 (E_RNA)
where:
Base-Base interactions energy: -222.038
where: short stacking energy: -86.959
Base-Backbone interact. energy: -0.245
local terms energy: -78.886176
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -21.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -309.908858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.908858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.908858 (E_RNA)
where:
Base-Base interactions energy: -215.650
where: short stacking energy: -103.777
Base-Backbone interact. energy: 0.485
local terms energy: -94.743714
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -19.191
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -26.633
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: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -278.037481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.037481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.037481 (E_RNA)
where:
Base-Base interactions energy: -207.995
where: short stacking energy: -84.319
Base-Backbone interact. energy: -0.336
local terms energy: -69.706378
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -12.923
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: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -285.950722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.950722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.950722 (E_RNA)
where:
Base-Base interactions energy: -200.033
where: short stacking energy: -88.773
Base-Backbone interact. energy: -0.002
local terms energy: -85.916324
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -24.214
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: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -213.122849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.122849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.122849 (E_RNA)
where:
Base-Base interactions energy: -149.923
where: short stacking energy: -76.117
Base-Backbone interact. energy: -0.849
local terms energy: -62.350277
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -16.486
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: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -209.539870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.539870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.539870 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -69.369
Base-Backbone interact. energy: -0.149
local terms energy: -75.519476
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -205.038242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.038242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.038242 (E_RNA)
where:
Base-Base interactions energy: -123.509
where: short stacking energy: -70.360
Base-Backbone interact. energy: -0.008
local terms energy: -81.520824
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -13.729
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: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -99.445399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.445399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.445399 (E_RNA)
where:
Base-Base interactions energy: -56.584
where: short stacking energy: -49.080
Base-Backbone interact. energy: -0.222
local terms energy: -42.639868
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -7.161
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -315.200418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.200418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.200418 (E_RNA)
where:
Base-Base interactions energy: -229.421
where: short stacking energy: -101.004
Base-Backbone interact. energy: -0.396
local terms energy: -85.383202
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -23.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -305.088338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.088338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.088338 (E_RNA)
where:
Base-Base interactions energy: -220.558
where: short stacking energy: -94.917
Base-Backbone interact. energy: -0.139
local terms energy: -84.391081
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -23.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -311.077422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.077422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.077422 (E_RNA)
where:
Base-Base interactions energy: -221.256
where: short stacking energy: -99.793
Base-Backbone interact. energy: -0.122
local terms energy: -89.700030
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -27.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -302.242391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.242391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.242391 (E_RNA)
where:
Base-Base interactions energy: -215.860
where: short stacking energy: -102.946
Base-Backbone interact. energy: -0.062
local terms energy: -86.321144
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -25.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -282.045455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.045455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.045455 (E_RNA)
where:
Base-Base interactions energy: -214.072
where: short stacking energy: -90.359
Base-Backbone interact. energy: -0.907
local terms energy: -67.066581
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -8.183
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: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -289.860922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.860922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.860922 (E_RNA)
where:
Base-Base interactions energy: -205.745
where: short stacking energy: -91.877
Base-Backbone interact. energy: -0.020
local terms energy: -84.095858
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -23.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -225.607490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.607490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.607490 (E_RNA)
where:
Base-Base interactions energy: -146.386
where: short stacking energy: -71.866
Base-Backbone interact. energy: -1.172
local terms energy: -78.050082
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -217.151078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.151078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.151078 (E_RNA)
where:
Base-Base interactions energy: -150.634
where: short stacking energy: -73.024
Base-Backbone interact. energy: -0.519
local terms energy: -65.997955
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -195.680571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.680571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.680571 (E_RNA)
where:
Base-Base interactions energy: -132.863
where: short stacking energy: -56.010
Base-Backbone interact. energy: -0.534
local terms energy: -62.283793
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -4.135
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -121.319578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.319578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.319578 (E_RNA)
where:
Base-Base interactions energy: -63.454
where: short stacking energy: -43.110
Base-Backbone interact. energy: 5.449
local terms energy: -63.314561
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -9.670
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: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -315.081552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.081552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.081552 (E_RNA)
where:
Base-Base interactions energy: -227.360
where: short stacking energy: -100.600
Base-Backbone interact. energy: 0.946
local terms energy: -88.667808
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -12.901
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: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -314.361043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.361043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.361043 (E_RNA)
where:
Base-Base interactions energy: -226.876
where: short stacking energy: -99.983
Base-Backbone interact. energy: -0.073
local terms energy: -87.412376
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -25.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -303.849990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.849990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.849990 (E_RNA)
where:
Base-Base interactions energy: -216.624
where: short stacking energy: -90.390
Base-Backbone interact. energy: -0.065
local terms energy: -87.161269
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -23.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -302.981578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.981578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.981578 (E_RNA)
where:
Base-Base interactions energy: -220.683
where: short stacking energy: -100.735
Base-Backbone interact. energy: 0.309
local terms energy: -82.607955
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -26.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -292.263961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.263961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.263961 (E_RNA)
where:
Base-Base interactions energy: -213.027
where: short stacking energy: -94.928
Base-Backbone interact. energy: 0.402
local terms energy: -79.639257
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -22.040
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: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -278.689083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.689083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.689083 (E_RNA)
where:
Base-Base interactions energy: -197.981
where: short stacking energy: -78.832
Base-Backbone interact. energy: -0.559
local terms energy: -80.149112
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -245.400402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.400402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.400402 (E_RNA)
where:
Base-Base interactions energy: -166.957
where: short stacking energy: -86.747
Base-Backbone interact. energy: -0.002
local terms energy: -78.441816
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -21.711
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: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -227.248245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.248245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.248245 (E_RNA)
where:
Base-Base interactions energy: -159.655
where: short stacking energy: -77.774
Base-Backbone interact. energy: 2.924
local terms energy: -70.518194
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -217.668290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.668290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.668290 (E_RNA)
where:
Base-Base interactions energy: -148.190
where: short stacking energy: -60.853
Base-Backbone interact. energy: -0.475
local terms energy: -69.002714
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -12.818
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: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -115.049175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.049175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.049175 (E_RNA)
where:
Base-Base interactions energy: -58.737
where: short stacking energy: -52.762
Base-Backbone interact. energy: -0.158
local terms energy: -56.153929
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: 2.118
tors. eta vs tors. theta energy: -9.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -315.323930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.323930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.323930 (E_RNA)
where:
Base-Base interactions energy: -228.052
where: short stacking energy: -96.105
Base-Backbone interact. energy: -0.151
local terms energy: -87.121235
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -23.123
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: 369
Temperature: 0.950000
Total energy: -318.149923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.149923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.149923 (E_RNA)
where:
Base-Base interactions energy: -236.861
where: short stacking energy: -108.273
Base-Backbone interact. energy: -0.071
local terms energy: -81.218219
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -26.086
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: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -305.304267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.304267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.304267 (E_RNA)
where:
Base-Base interactions energy: -210.759
where: short stacking energy: -96.671
Base-Backbone interact. energy: -0.519
local terms energy: -94.026034
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -27.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -307.734481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.734481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.734481 (E_RNA)
where:
Base-Base interactions energy: -223.768
where: short stacking energy: -93.997
Base-Backbone interact. energy: -0.022
local terms energy: -83.944430
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -288.850055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.850055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.850055 (E_RNA)
where:
Base-Base interactions energy: -216.898
where: short stacking energy: -92.470
Base-Backbone interact. energy: -0.638
local terms energy: -71.313848
where:
bonds (distance) C4'-P energy: -8.702
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -21.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -273.841337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.841337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.841337 (E_RNA)
where:
Base-Base interactions energy: -200.224
where: short stacking energy: -77.426
Base-Backbone interact. energy: 0.242
local terms energy: -73.858888
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -220.180192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.180192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.180192 (E_RNA)
where:
Base-Base interactions energy: -151.917
where: short stacking energy: -71.485
Base-Backbone interact. energy: -0.115
local terms energy: -68.147772
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -216.274021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.274021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.274021 (E_RNA)
where:
Base-Base interactions energy: -147.651
where: short stacking energy: -56.512
Base-Backbone interact. energy: -0.678
local terms energy: -67.945862
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -15.099
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: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -178.726755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.726755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.726755 (E_RNA)
where:
Base-Base interactions energy: -118.648
where: short stacking energy: -64.430
Base-Backbone interact. energy: -1.367
local terms energy: -58.711966
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -11.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -90.869538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.869538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.869538 (E_RNA)
where:
Base-Base interactions energy: -35.173
where: short stacking energy: -23.549
Base-Backbone interact. energy: 2.769
local terms energy: -58.466111
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -317.069495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.069495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.069495 (E_RNA)
where:
Base-Base interactions energy: -225.943
where: short stacking energy: -99.978
Base-Backbone interact. energy: -0.002
local terms energy: -91.124731
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -310.879178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.879178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.879178 (E_RNA)
where:
Base-Base interactions energy: -221.927
where: short stacking energy: -107.121
Base-Backbone interact. energy: -0.579
local terms energy: -88.373335
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -300.246420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.246420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.246420 (E_RNA)
where:
Base-Base interactions energy: -211.210
where: short stacking energy: -98.046
Base-Backbone interact. energy: -0.239
local terms energy: -88.798244
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -24.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -313.828570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.828570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.828570 (E_RNA)
where:
Base-Base interactions energy: -220.836
where: short stacking energy: -100.329
Base-Backbone interact. energy: -0.001
local terms energy: -92.991114
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -22.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -277.411313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.411313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.411313 (E_RNA)
where:
Base-Base interactions energy: -205.780
where: short stacking energy: -85.203
Base-Backbone interact. energy: -0.412
local terms energy: -71.218802
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -289.101944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.101944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.101944 (E_RNA)
where:
Base-Base interactions energy: -207.840
where: short stacking energy: -88.642
Base-Backbone interact. energy: -0.030
local terms energy: -81.232054
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -25.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -245.208287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.208287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.208287 (E_RNA)
where:
Base-Base interactions energy: -167.881
where: short stacking energy: -76.654
Base-Backbone interact. energy: -0.515
local terms energy: -76.812086
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -11.664
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: 8, replica: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -224.089510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.089510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.089510 (E_RNA)
where:
Base-Base interactions energy: -158.330
where: short stacking energy: -76.725
Base-Backbone interact. energy: 1.173
local terms energy: -66.932104
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -1.201
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -198.888581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.888581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.888581 (E_RNA)
where:
Base-Base interactions energy: -139.626
where: short stacking energy: -48.617
Base-Backbone interact. energy: -0.495
local terms energy: -58.767935
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -8.872
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -103.928328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.928328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.928328 (E_RNA)
where:
Base-Base interactions energy: -45.648
where: short stacking energy: -41.789
Base-Backbone interact. energy: -0.186
local terms energy: -58.094108
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -323.186507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.186507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.186507 (E_RNA)
where:
Base-Base interactions energy: -230.381
where: short stacking energy: -96.868
Base-Backbone interact. energy: -0.011
local terms energy: -92.794996
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -308.984487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.984487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.984487 (E_RNA)
where:
Base-Base interactions energy: -225.039
where: short stacking energy: -104.650
Base-Backbone interact. energy: 1.353
local terms energy: -85.298198
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -24.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -312.400959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.400959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.400959 (E_RNA)
where:
Base-Base interactions energy: -230.531
where: short stacking energy: -95.480
Base-Backbone interact. energy: 0.290
local terms energy: -82.160159
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -24.534
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: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -306.505476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.505476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.505476 (E_RNA)
where:
Base-Base interactions energy: -219.649
where: short stacking energy: -91.116
Base-Backbone interact. energy: -0.016
local terms energy: -86.840420
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -20.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -267.912040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.912040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.912040 (E_RNA)
where:
Base-Base interactions energy: -198.603
where: short stacking energy: -80.587
Base-Backbone interact. energy: 1.206
local terms energy: -70.515448
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -6.183
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: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -291.541238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.541238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.541238 (E_RNA)
where:
Base-Base interactions energy: -209.440
where: short stacking energy: -95.356
Base-Backbone interact. energy: -0.236
local terms energy: -81.864917
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -23.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -229.906065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.906065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.906065 (E_RNA)
where:
Base-Base interactions energy: -156.796
where: short stacking energy: -86.996
Base-Backbone interact. energy: -0.025
local terms energy: -73.084866
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -12.737
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: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -239.351936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.351936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.351936 (E_RNA)
where:
Base-Base interactions energy: -171.071
where: short stacking energy: -82.407
Base-Backbone interact. energy: -0.243
local terms energy: -68.037500
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -205.132692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.132692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.132692 (E_RNA)
where:
Base-Base interactions energy: -145.547
where: short stacking energy: -75.421
Base-Backbone interact. energy: -0.133
local terms energy: -59.453323
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -7.858
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -111.466849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.466849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.466849 (E_RNA)
where:
Base-Base interactions energy: -67.954
where: short stacking energy: -41.358
Base-Backbone interact. energy: -0.059
local terms energy: -43.453395
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -2.392
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -323.015358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.015358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.015358 (E_RNA)
where:
Base-Base interactions energy: -230.322
where: short stacking energy: -95.802
Base-Backbone interact. energy: -0.001
local terms energy: -92.692513
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -310.860596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.860596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.860596 (E_RNA)
where:
Base-Base interactions energy: -220.295
where: short stacking energy: -103.891
Base-Backbone interact. energy: -0.320
local terms energy: -90.245526
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -26.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -302.452399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.452399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.452399 (E_RNA)
where:
Base-Base interactions energy: -212.916
where: short stacking energy: -95.738
Base-Backbone interact. energy: -0.270
local terms energy: -89.266242
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -23.386
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: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -299.451574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.451574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.451574 (E_RNA)
where:
Base-Base interactions energy: -211.810
where: short stacking energy: -94.961
Base-Backbone interact. energy: -0.341
local terms energy: -87.301138
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -22.877
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: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -316.205226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.205226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.205226 (E_RNA)
where:
Base-Base interactions energy: -234.862
where: short stacking energy: -108.302
Base-Backbone interact. energy: -0.438
local terms energy: -80.905553
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -25.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -241.500259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.500259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.500259 (E_RNA)
where:
Base-Base interactions energy: -174.056
where: short stacking energy: -74.711
Base-Backbone interact. energy: -0.634
local terms energy: -66.809694
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -260.801998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.801998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.801998 (E_RNA)
where:
Base-Base interactions energy: -184.333
where: short stacking energy: -85.254
Base-Backbone interact. energy: 1.368
local terms energy: -77.836970
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -235.492980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.492980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.492980 (E_RNA)
where:
Base-Base interactions energy: -168.947
where: short stacking energy: -72.464
Base-Backbone interact. energy: -0.108
local terms energy: -66.437262
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: -19.673
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: 372
Temperature: 1.300000
Total energy: -192.935322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.935322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.935322 (E_RNA)
where:
Base-Base interactions energy: -125.228
where: short stacking energy: -62.670
Base-Backbone interact. energy: 0.327
local terms energy: -68.034500
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -11.621
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: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -102.243467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.243467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.243467 (E_RNA)
where:
Base-Base interactions energy: -41.924
where: short stacking energy: -41.924
Base-Backbone interact. energy: -0.235
local terms energy: -60.083842
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -4.305
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: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -316.335951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.335951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.335951 (E_RNA)
where:
Base-Base interactions energy: -234.416
where: short stacking energy: -103.046
Base-Backbone interact. energy: -0.036
local terms energy: -81.883644
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -22.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -313.931245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.931245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.931245 (E_RNA)
where:
Base-Base interactions energy: -219.092
where: short stacking energy: -105.362
Base-Backbone interact. energy: -0.076
local terms energy: -94.762966
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -23.782
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: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -311.596398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.596398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.596398 (E_RNA)
where:
Base-Base interactions energy: -219.800
where: short stacking energy: -102.949
Base-Backbone interact. energy: -0.004
local terms energy: -91.792167
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -24.761
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: 373
Temperature: 1.050000
Total energy: -301.218148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.218148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.218148 (E_RNA)
where:
Base-Base interactions energy: -211.696
where: short stacking energy: -93.345
Base-Backbone interact. energy: 2.439
local terms energy: -91.961339
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -25.877
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: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -299.509962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.509962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.509962 (E_RNA)
where:
Base-Base interactions energy: -215.311
where: short stacking energy: -88.102
Base-Backbone interact. energy: -0.443
local terms energy: -83.755539
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -260.288489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.288489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.288489 (E_RNA)
where:
Base-Base interactions energy: -185.941
where: short stacking energy: -85.462
Base-Backbone interact. energy: -0.044
local terms energy: -74.303497
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -17.301
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: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -243.338760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.338760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.338760 (E_RNA)
where:
Base-Base interactions energy: -180.783
where: short stacking energy: -73.397
Base-Backbone interact. energy: -0.353
local terms energy: -62.201941
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -10.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -199.790247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.790247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.790247 (E_RNA)
where:
Base-Base interactions energy: -139.144
where: short stacking energy: -55.731
Base-Backbone interact. energy: 0.067
local terms energy: -60.712632
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -197.373120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.373120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.373120 (E_RNA)
where:
Base-Base interactions energy: -126.769
where: short stacking energy: -62.618
Base-Backbone interact. energy: 0.264
local terms energy: -70.868125
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -158.582272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.582272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.582272 (E_RNA)
where:
Base-Base interactions energy: -102.460
where: short stacking energy: -47.907
Base-Backbone interact. energy: -0.086
local terms energy: -56.035916
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: 1.146
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: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -324.407633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.407633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.407633 (E_RNA)
where:
Base-Base interactions energy: -233.311
where: short stacking energy: -95.907
Base-Backbone interact. energy: -0.004
local terms energy: -91.092700
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -24.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -308.473794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.473794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.473794 (E_RNA)
where:
Base-Base interactions energy: -215.129
where: short stacking energy: -99.495
Base-Backbone interact. energy: -0.005
local terms energy: -93.339183
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -22.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -307.873987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.873987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.873987 (E_RNA)
where:
Base-Base interactions energy: -223.172
where: short stacking energy: -97.112
Base-Backbone interact. energy: -0.016
local terms energy: -84.685395
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -26.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -303.664685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.664685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.664685 (E_RNA)
where:
Base-Base interactions energy: -224.843
where: short stacking energy: -105.129
Base-Backbone interact. energy: -0.218
local terms energy: -78.603527
where:
bonds (distance) C4'-P energy: -7.947
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -25.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -301.083385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.083385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.083385 (E_RNA)
where:
Base-Base interactions energy: -214.042
where: short stacking energy: -91.598
Base-Backbone interact. energy: 0.051
local terms energy: -87.092917
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -25.326
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: 374
Temperature: 1.150000
Total energy: -258.136326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.136326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.136326 (E_RNA)
where:
Base-Base interactions energy: -186.047
where: short stacking energy: -74.989
Base-Backbone interact. energy: 0.073
local terms energy: -72.161695
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -16.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -254.915957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.915957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.915957 (E_RNA)
where:
Base-Base interactions energy: -195.546
where: short stacking energy: -78.645
Base-Backbone interact. energy: -0.454
local terms energy: -58.916450
where:
bonds (distance) C4'-P energy: -8.734
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -212.007553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.007553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.007553 (E_RNA)
where:
Base-Base interactions energy: -143.879
where: short stacking energy: -65.933
Base-Backbone interact. energy: -0.032
local terms energy: -68.096208
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -199.271977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.271977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.271977 (E_RNA)
where:
Base-Base interactions energy: -130.860
where: short stacking energy: -67.146
Base-Backbone interact. energy: 1.270
local terms energy: -69.682223
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -170.540741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.540741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.540741 (E_RNA)
where:
Base-Base interactions energy: -109.511
where: short stacking energy: -61.285
Base-Backbone interact. energy: -0.421
local terms energy: -60.608213
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -7.135
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: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -324.126422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.126422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.126422 (E_RNA)
where:
Base-Base interactions energy: -238.869
where: short stacking energy: -107.277
Base-Backbone interact. energy: -0.115
local terms energy: -85.142115
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -25.703
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: 375
Temperature: 0.950000
Total energy: -315.089690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.089690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.089690 (E_RNA)
where:
Base-Base interactions energy: -226.112
where: short stacking energy: -103.080
Base-Backbone interact. energy: -0.002
local terms energy: -88.975097
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -311.095252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.095252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.095252 (E_RNA)
where:
Base-Base interactions energy: -219.499
where: short stacking energy: -101.560
Base-Backbone interact. energy: -0.929
local terms energy: -90.666589
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -28.007
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: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -304.452422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.452422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.452422 (E_RNA)
where:
Base-Base interactions energy: -219.252
where: short stacking energy: -99.164
Base-Backbone interact. energy: -0.010
local terms energy: -85.191089
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -297.888577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.888577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.888577 (E_RNA)
where:
Base-Base interactions energy: -213.101
where: short stacking energy: -94.501
Base-Backbone interact. energy: -0.020
local terms energy: -84.767251
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -25.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -269.457836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.457836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.457836 (E_RNA)
where:
Base-Base interactions energy: -192.646
where: short stacking energy: -78.876
Base-Backbone interact. energy: -0.390
local terms energy: -76.421927
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -252.082247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.082247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.082247 (E_RNA)
where:
Base-Base interactions energy: -185.073
where: short stacking energy: -76.040
Base-Backbone interact. energy: 0.300
local terms energy: -67.309720
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -208.018408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.018408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.018408 (E_RNA)
where:
Base-Base interactions energy: -139.962
where: short stacking energy: -70.367
Base-Backbone interact. energy: -0.099
local terms energy: -67.956554
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -12.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -195.450325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.450325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.450325 (E_RNA)
where:
Base-Base interactions energy: -132.307
where: short stacking energy: -62.310
Base-Backbone interact. energy: -0.191
local terms energy: -62.952115
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -159.436855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.436855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.436855 (E_RNA)
where:
Base-Base interactions energy: -113.424
where: short stacking energy: -44.947
Base-Backbone interact. energy: 0.062
local terms energy: -46.075380
where:
bonds (distance) C4'-P energy: -8.150
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -1.801
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: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -330.462624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.462624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.462624 (E_RNA)
where:
Base-Base interactions energy: -238.476
where: short stacking energy: -109.784
Base-Backbone interact. energy: -0.691
local terms energy: -91.295626
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -25.576
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: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -301.596442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.596442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.596442 (E_RNA)
where:
Base-Base interactions energy: -217.293
where: short stacking energy: -99.614
Base-Backbone interact. energy: -0.001
local terms energy: -84.301966
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -23.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -314.615754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.615754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.615754 (E_RNA)
where:
Base-Base interactions energy: -227.830
where: short stacking energy: -104.211
Base-Backbone interact. energy: -0.018
local terms energy: -86.767646
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -25.379
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: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -302.220673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.220673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.220673 (E_RNA)
where:
Base-Base interactions energy: -216.599
where: short stacking energy: -101.927
Base-Backbone interact. energy: -0.026
local terms energy: -85.595633
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -23.889
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: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -270.428938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.428938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.428938 (E_RNA)
where:
Base-Base interactions energy: -191.820
where: short stacking energy: -83.878
Base-Backbone interact. energy: -0.222
local terms energy: -78.387180
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -15.068
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: 376
Temperature: 1.150000
Total energy: -289.732481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.732481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.732481 (E_RNA)
where:
Base-Base interactions energy: -208.790
where: short stacking energy: -93.454
Base-Backbone interact. energy: -0.536
local terms energy: -80.406503
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -240.530254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.530254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.530254 (E_RNA)
where:
Base-Base interactions energy: -176.541
where: short stacking energy: -85.065
Base-Backbone interact. energy: 0.430
local terms energy: -64.419007
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -18.989
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: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -219.933386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.933386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.933386 (E_RNA)
where:
Base-Base interactions energy: -144.664
where: short stacking energy: -81.724
Base-Backbone interact. energy: -0.047
local terms energy: -75.221852
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -196.143929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.143929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.143929 (E_RNA)
where:
Base-Base interactions energy: -137.592
where: short stacking energy: -69.239
Base-Backbone interact. energy: 3.398
local terms energy: -61.949893
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -9.628
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: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -178.493970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.493970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.493970 (E_RNA)
where:
Base-Base interactions energy: -118.908
where: short stacking energy: -67.092
Base-Backbone interact. energy: -0.017
local terms energy: -59.568318
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -14.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -325.515159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.515159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.515159 (E_RNA)
where:
Base-Base interactions energy: -242.296
where: short stacking energy: -109.977
Base-Backbone interact. energy: -0.001
local terms energy: -83.217660
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -23.850
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: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -317.118307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.118307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.118307 (E_RNA)
where:
Base-Base interactions energy: -221.885
where: short stacking energy: -105.813
Base-Backbone interact. energy: -0.320
local terms energy: -94.912951
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -27.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -306.856231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.856231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.856231 (E_RNA)
where:
Base-Base interactions energy: -212.802
where: short stacking energy: -96.710
Base-Backbone interact. energy: -0.000
local terms energy: -94.054235
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -24.215
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: 377
Temperature: 1.050000
Total energy: -272.522206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.522206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.522206 (E_RNA)
where:
Base-Base interactions energy: -202.370
where: short stacking energy: -79.027
Base-Backbone interact. energy: -0.434
local terms energy: -69.718119
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -12.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -295.810592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.810592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.810592 (E_RNA)
where:
Base-Base interactions energy: -211.275
where: short stacking energy: -100.276
Base-Backbone interact. energy: 0.685
local terms energy: -85.221050
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -25.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -295.088803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.088803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.088803 (E_RNA)
where:
Base-Base interactions energy: -207.241
where: short stacking energy: -92.548
Base-Backbone interact. energy: -0.117
local terms energy: -87.730911
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -23.722
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: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -235.510295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.510295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.510295 (E_RNA)
where:
Base-Base interactions energy: -174.264
where: short stacking energy: -75.520
Base-Backbone interact. energy: 6.837
local terms energy: -68.082688
where:
bonds (distance) C4'-P energy: -7.823
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -211.046063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.046063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.046063 (E_RNA)
where:
Base-Base interactions energy: -133.992
where: short stacking energy: -63.935
Base-Backbone interact. energy: -0.681
local terms energy: -76.373526
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -13.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -210.780401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.780401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.780401 (E_RNA)
where:
Base-Base interactions energy: -136.557
where: short stacking energy: -61.070
Base-Backbone interact. energy: -0.005
local terms energy: -74.218888
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -13.809
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: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -202.695051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.695051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.695051 (E_RNA)
where:
Base-Base interactions energy: -139.473
where: short stacking energy: -81.488
Base-Backbone interact. energy: -0.026
local terms energy: -63.195965
where:
bonds (distance) C4'-P energy: -8.700
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -324.224186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.224186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.224186 (E_RNA)
where:
Base-Base interactions energy: -240.714
where: short stacking energy: -98.903
Base-Backbone interact. energy: -0.365
local terms energy: -83.145468
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -23.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -317.046007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.046007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.046007 (E_RNA)
where:
Base-Base interactions energy: -232.111
where: short stacking energy: -104.550
Base-Backbone interact. energy: -0.002
local terms energy: -84.932897
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -312.250040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.250040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.250040 (E_RNA)
where:
Base-Base interactions energy: -236.947
where: short stacking energy: -95.500
Base-Backbone interact. energy: 0.241
local terms energy: -75.544494
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -22.799
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: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -264.295435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.295435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.295435 (E_RNA)
where:
Base-Base interactions energy: -193.641
where: short stacking energy: -79.940
Base-Backbone interact. energy: -0.438
local terms energy: -70.216722
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -12.510
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: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -297.882612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.882612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.882612 (E_RNA)
where:
Base-Base interactions energy: -215.374
where: short stacking energy: -95.896
Base-Backbone interact. energy: -0.272
local terms energy: -82.236870
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -23.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -293.677426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.677426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.677426 (E_RNA)
where:
Base-Base interactions energy: -207.520
where: short stacking energy: -96.942
Base-Backbone interact. energy: -0.922
local terms energy: -85.236105
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -26.094
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: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -244.004099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.004099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.004099 (E_RNA)
where:
Base-Base interactions energy: -173.226
where: short stacking energy: -74.431
Base-Backbone interact. energy: 0.264
local terms energy: -71.042714
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -197.159258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.159258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.159258 (E_RNA)
where:
Base-Base interactions energy: -130.577
where: short stacking energy: -59.643
Base-Backbone interact. energy: -0.060
local terms energy: -66.521356
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -197.564988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.564988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.564988 (E_RNA)
where:
Base-Base interactions energy: -127.141
where: short stacking energy: -60.857
Base-Backbone interact. energy: -0.185
local terms energy: -70.238988
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -11.442
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: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -196.207514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.207514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.207514 (E_RNA)
where:
Base-Base interactions energy: -129.078
where: short stacking energy: -62.555
Base-Backbone interact. energy: -0.001
local terms energy: -67.128916
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -13.442
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: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -324.465926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.465926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.465926 (E_RNA)
where:
Base-Base interactions energy: -237.222
where: short stacking energy: -103.061
Base-Backbone interact. energy: -0.057
local terms energy: -87.187323
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -24.433
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: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -320.390118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.390118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.390118 (E_RNA)
where:
Base-Base interactions energy: -230.371
where: short stacking energy: -99.516
Base-Backbone interact. energy: -0.010
local terms energy: -90.009572
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -24.795
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: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -300.659090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.659090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.659090 (E_RNA)
where:
Base-Base interactions energy: -223.332
where: short stacking energy: -102.661
Base-Backbone interact. energy: 0.928
local terms energy: -78.254808
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -26.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -309.388787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.388787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.388787 (E_RNA)
where:
Base-Base interactions energy: -223.291
where: short stacking energy: -102.199
Base-Backbone interact. energy: -0.005
local terms energy: -86.092658
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -26.855
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: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -267.279929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.279929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.279929 (E_RNA)
where:
Base-Base interactions energy: -192.245
where: short stacking energy: -83.157
Base-Backbone interact. energy: -1.046
local terms energy: -73.988818
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -12.776
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: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -295.215615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.215615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.215615 (E_RNA)
where:
Base-Base interactions energy: -215.137
where: short stacking energy: -97.162
Base-Backbone interact. energy: -0.075
local terms energy: -80.003917
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -23.218
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: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -239.309553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.309553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.309553 (E_RNA)
where:
Base-Base interactions energy: -167.841
where: short stacking energy: -68.695
Base-Backbone interact. energy: -0.314
local terms energy: -71.154063
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -212.264459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.264459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.264459 (E_RNA)
where:
Base-Base interactions energy: -149.863
where: short stacking energy: -72.631
Base-Backbone interact. energy: -0.253
local terms energy: -62.149143
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -201.960110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.960110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.960110 (E_RNA)
where:
Base-Base interactions energy: -130.709
where: short stacking energy: -66.066
Base-Backbone interact. energy: -0.617
local terms energy: -70.633942
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -8.208
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: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -190.554372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.554372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.554372 (E_RNA)
where:
Base-Base interactions energy: -124.455
where: short stacking energy: -64.589
Base-Backbone interact. energy: 3.744
local terms energy: -69.843447
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -14.517
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: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -325.513724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.513724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.513724 (E_RNA)
where:
Base-Base interactions energy: -243.002
where: short stacking energy: -109.590
Base-Backbone interact. energy: -0.018
local terms energy: -82.493663
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -25.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -327.266054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.266054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.266054 (E_RNA)
where:
Base-Base interactions energy: -243.143
where: short stacking energy: -102.017
Base-Backbone interact. energy: -0.443
local terms energy: -83.680216
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -25.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -305.166854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.166854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.166854 (E_RNA)
where:
Base-Base interactions energy: -218.269
where: short stacking energy: -99.219
Base-Backbone interact. energy: -0.322
local terms energy: -86.576015
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -23.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -300.368057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.368057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.368057 (E_RNA)
where:
Base-Base interactions energy: -218.749
where: short stacking energy: -89.508
Base-Backbone interact. energy: -0.016
local terms energy: -81.603697
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -20.022
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: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -298.577340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.577340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.577340 (E_RNA)
where:
Base-Base interactions energy: -216.070
where: short stacking energy: -92.745
Base-Backbone interact. energy: -0.076
local terms energy: -82.431352
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -272.467429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.467429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.467429 (E_RNA)
where:
Base-Base interactions energy: -200.624
where: short stacking energy: -82.828
Base-Backbone interact. energy: -0.700
local terms energy: -71.143319
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -239.682689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.682689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.682689 (E_RNA)
where:
Base-Base interactions energy: -167.065
where: short stacking energy: -75.123
Base-Backbone interact. energy: -0.351
local terms energy: -72.266922
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -191.945181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.945181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.945181 (E_RNA)
where:
Base-Base interactions energy: -124.285
where: short stacking energy: -55.000
Base-Backbone interact. energy: -0.092
local terms energy: -67.567984
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -200.475287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.475287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.475287 (E_RNA)
where:
Base-Base interactions energy: -137.481
where: short stacking energy: -74.851
Base-Backbone interact. energy: 0.594
local terms energy: -63.587602
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -4.735
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -184.803083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.803083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.803083 (E_RNA)
where:
Base-Base interactions energy: -136.832
where: short stacking energy: -62.000
Base-Backbone interact. energy: -0.903
local terms energy: -47.067763
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -4.222
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -10.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -322.539083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.539083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.539083 (E_RNA)
where:
Base-Base interactions energy: -238.814
where: short stacking energy: -103.080
Base-Backbone interact. energy: -0.161
local terms energy: -83.564672
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -24.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -319.039619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.039619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.039619 (E_RNA)
where:
Base-Base interactions energy: -235.837
where: short stacking energy: -93.585
Base-Backbone interact. energy: 0.028
local terms energy: -83.230017
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -307.797960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.797960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.797960 (E_RNA)
where:
Base-Base interactions energy: -224.509
where: short stacking energy: -95.693
Base-Backbone interact. energy: -0.035
local terms energy: -83.254465
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -22.971
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: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -300.446733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.446733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.446733 (E_RNA)
where:
Base-Base interactions energy: -214.742
where: short stacking energy: -99.174
Base-Backbone interact. energy: -0.014
local terms energy: -85.690130
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -21.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -301.308926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.308926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.308926 (E_RNA)
where:
Base-Base interactions energy: -214.817
where: short stacking energy: -92.658
Base-Backbone interact. energy: -0.105
local terms energy: -86.386500
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -272.694149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.694149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.694149 (E_RNA)
where:
Base-Base interactions energy: -208.747
where: short stacking energy: -78.980
Base-Backbone interact. energy: -0.557
local terms energy: -63.389969
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -245.149658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.149658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.149658 (E_RNA)
where:
Base-Base interactions energy: -168.580
where: short stacking energy: -76.655
Base-Backbone interact. energy: -0.800
local terms energy: -75.768977
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -201.097884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.097884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.097884 (E_RNA)
where:
Base-Base interactions energy: -123.157
where: short stacking energy: -62.174
Base-Backbone interact. energy: 1.653
local terms energy: -79.594151
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -19.165
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: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -195.317118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.317118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.317118 (E_RNA)
where:
Base-Base interactions energy: -126.224
where: short stacking energy: -70.883
Base-Backbone interact. energy: -0.170
local terms energy: -68.923550
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -195.021856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.021856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.021856 (E_RNA)
where:
Base-Base interactions energy: -132.151
where: short stacking energy: -69.215
Base-Backbone interact. energy: -0.135
local terms energy: -62.735800
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -325.032690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.032690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.032690 (E_RNA)
where:
Base-Base interactions energy: -242.032
where: short stacking energy: -102.270
Base-Backbone interact. energy: -0.002
local terms energy: -82.998752
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -322.658717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.658717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.658717 (E_RNA)
where:
Base-Base interactions energy: -235.886
where: short stacking energy: -100.841
Base-Backbone interact. energy: -0.007
local terms energy: -86.765338
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -24.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -305.601177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.601177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.601177 (E_RNA)
where:
Base-Base interactions energy: -227.360
where: short stacking energy: -98.503
Base-Backbone interact. energy: -0.004
local terms energy: -78.237832
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -18.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -302.095687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.095687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.095687 (E_RNA)
where:
Base-Base interactions energy: -208.939
where: short stacking energy: -89.451
Base-Backbone interact. energy: -0.054
local terms energy: -93.102642
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -23.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -300.630551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.630551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.630551 (E_RNA)
where:
Base-Base interactions energy: -219.712
where: short stacking energy: -93.391
Base-Backbone interact. energy: -0.200
local terms energy: -80.717829
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -23.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -276.709679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.709679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.709679 (E_RNA)
where:
Base-Base interactions energy: -206.324
where: short stacking energy: -79.328
Base-Backbone interact. energy: -1.275
local terms energy: -69.110348
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -13.141
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: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -262.912068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.912068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.912068 (E_RNA)
where:
Base-Base interactions energy: -188.934
where: short stacking energy: -75.457
Base-Backbone interact. energy: -0.244
local terms energy: -73.734031
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -13.559
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: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -220.140104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.140104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.140104 (E_RNA)
where:
Base-Base interactions energy: -146.114
where: short stacking energy: -74.470
Base-Backbone interact. energy: -0.025
local terms energy: -74.001262
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -7.311
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: 9, replica: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -210.736928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.736928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.736928 (E_RNA)
where:
Base-Base interactions energy: -137.288
where: short stacking energy: -63.327
Base-Backbone interact. energy: -0.710
local terms energy: -72.739426
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -9.269
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -198.534890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.534890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.534890 (E_RNA)
where:
Base-Base interactions energy: -126.937
where: short stacking energy: -67.888
Base-Backbone interact. energy: -0.285
local terms energy: -71.312822
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -315.375886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.375886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.375886 (E_RNA)
where:
Base-Base interactions energy: -226.341
where: short stacking energy: -97.742
Base-Backbone interact. energy: -0.001
local terms energy: -89.033501
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -25.502
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: 383
Temperature: 0.950000
Total energy: -312.560124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.560124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.560124 (E_RNA)
where:
Base-Base interactions energy: -227.701
where: short stacking energy: -95.797
Base-Backbone interact. energy: -0.580
local terms energy: -84.279148
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -26.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -300.930153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.930153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.930153 (E_RNA)
where:
Base-Base interactions energy: -219.187
where: short stacking energy: -97.438
Base-Backbone interact. energy: -0.001
local terms energy: -81.742296
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -8.983
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -300.705073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.705073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.705073 (E_RNA)
where:
Base-Base interactions energy: -224.502
where: short stacking energy: -98.410
Base-Backbone interact. energy: -0.039
local terms energy: -76.164150
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -24.118
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: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -294.905095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.905095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.905095 (E_RNA)
where:
Base-Base interactions energy: -212.349
where: short stacking energy: -96.565
Base-Backbone interact. energy: -0.009
local terms energy: -82.547326
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -24.187
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: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -268.771356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.771356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.771356 (E_RNA)
where:
Base-Base interactions energy: -195.583
where: short stacking energy: -86.994
Base-Backbone interact. energy: -0.189
local terms energy: -72.998458
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -276.427641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.427641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.427641 (E_RNA)
where:
Base-Base interactions energy: -203.705
where: short stacking energy: -88.840
Base-Backbone interact. energy: 0.036
local terms energy: -72.758616
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -236.128176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.128176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.128176 (E_RNA)
where:
Base-Base interactions energy: -166.890
where: short stacking energy: -78.801
Base-Backbone interact. energy: -0.278
local terms energy: -68.960102
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -5.848
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: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -197.393398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.393398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.393398 (E_RNA)
where:
Base-Base interactions energy: -129.642
where: short stacking energy: -48.846
Base-Backbone interact. energy: -0.543
local terms energy: -67.208668
where:
bonds (distance) C4'-P energy: -8.038
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -10.586
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: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -191.972655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.972655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.972655 (E_RNA)
where:
Base-Base interactions energy: -121.738
where: short stacking energy: -62.832
Base-Backbone interact. energy: -0.909
local terms energy: -69.326200
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -328.356323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.356323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.356323 (E_RNA)
where:
Base-Base interactions energy: -240.525
where: short stacking energy: -110.628
Base-Backbone interact. energy: -0.855
local terms energy: -86.976245
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -23.590
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: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -315.905052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.905052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.905052 (E_RNA)
where:
Base-Base interactions energy: -224.845
where: short stacking energy: -96.063
Base-Backbone interact. energy: -0.001
local terms energy: -91.059545
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -24.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -314.016407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.016407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.016407 (E_RNA)
where:
Base-Base interactions energy: -231.289
where: short stacking energy: -101.016
Base-Backbone interact. energy: -0.337
local terms energy: -82.390687
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -23.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -305.645467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.645467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.645467 (E_RNA)
where:
Base-Base interactions energy: -218.234
where: short stacking energy: -96.426
Base-Backbone interact. energy: 0.523
local terms energy: -87.934378
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -300.508698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.508698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.508698 (E_RNA)
where:
Base-Base interactions energy: -214.029
where: short stacking energy: -95.387
Base-Backbone interact. energy: -0.055
local terms energy: -86.425470
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -270.889383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.889383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.889383 (E_RNA)
where:
Base-Base interactions energy: -186.002
where: short stacking energy: -88.192
Base-Backbone interact. energy: -0.126
local terms energy: -84.761176
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -17.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -272.101348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.101348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.101348 (E_RNA)
where:
Base-Base interactions energy: -196.479
where: short stacking energy: -90.691
Base-Backbone interact. energy: -0.271
local terms energy: -75.350978
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -10.257
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: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -212.069552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.069552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.069552 (E_RNA)
where:
Base-Base interactions energy: -144.822
where: short stacking energy: -65.057
Base-Backbone interact. energy: -0.025
local terms energy: -67.222973
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -7.722
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: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -204.053541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.053541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.053541 (E_RNA)
where:
Base-Base interactions energy: -135.871
where: short stacking energy: -59.311
Base-Backbone interact. energy: -0.058
local terms energy: -68.125420
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -8.756
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: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -179.641763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.641763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.641763 (E_RNA)
where:
Base-Base interactions energy: -123.547
where: short stacking energy: -54.081
Base-Backbone interact. energy: -0.637
local terms energy: -55.457368
where:
bonds (distance) C4'-P energy: -7.875
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -8.611
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: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -323.336952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.336952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.336952 (E_RNA)
where:
Base-Base interactions energy: -242.415
where: short stacking energy: -101.145
Base-Backbone interact. energy: -0.033
local terms energy: -80.888439
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -23.726
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: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -311.324551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.324551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.324551 (E_RNA)
where:
Base-Base interactions energy: -223.924
where: short stacking energy: -97.949
Base-Backbone interact. energy: -0.416
local terms energy: -86.984998
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -21.489
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: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -304.807215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.807215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.807215 (E_RNA)
where:
Base-Base interactions energy: -217.642
where: short stacking energy: -98.261
Base-Backbone interact. energy: -0.001
local terms energy: -87.164483
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -24.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -300.613702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.613702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.613702 (E_RNA)
where:
Base-Base interactions energy: -216.552
where: short stacking energy: -99.677
Base-Backbone interact. energy: -0.078
local terms energy: -83.984028
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -304.032727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.032727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.032727 (E_RNA)
where:
Base-Base interactions energy: -216.922
where: short stacking energy: -102.468
Base-Backbone interact. energy: -0.636
local terms energy: -86.474351
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -27.370
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: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -266.949054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.949054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.949054 (E_RNA)
where:
Base-Base interactions energy: -199.510
where: short stacking energy: -86.272
Base-Backbone interact. energy: -0.146
local terms energy: -67.293338
where:
bonds (distance) C4'-P energy: -4.724
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -253.137609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.137609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.137609 (E_RNA)
where:
Base-Base interactions energy: -190.428
where: short stacking energy: -80.771
Base-Backbone interact. energy: -0.163
local terms energy: -62.546173
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -3.276
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -197.772039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.772039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.772039 (E_RNA)
where:
Base-Base interactions energy: -132.938
where: short stacking energy: -65.408
Base-Backbone interact. energy: -0.034
local terms energy: -64.799836
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -13.234
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: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -216.376028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.376028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.376028 (E_RNA)
where:
Base-Base interactions energy: -147.130
where: short stacking energy: -74.366
Base-Backbone interact. energy: -0.002
local terms energy: -69.244371
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -13.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -188.978122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.978122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.978122 (E_RNA)
where:
Base-Base interactions energy: -132.683
where: short stacking energy: -61.875
Base-Backbone interact. energy: -0.438
local terms energy: -55.857600
where:
bonds (distance) C4'-P energy: -8.577
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -323.923171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.923171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.923171 (E_RNA)
where:
Base-Base interactions energy: -236.296
where: short stacking energy: -104.303
Base-Backbone interact. energy: -0.051
local terms energy: -87.575572
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -25.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -311.345150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.345150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.345150 (E_RNA)
where:
Base-Base interactions energy: -222.322
where: short stacking energy: -103.196
Base-Backbone interact. energy: -0.518
local terms energy: -88.505252
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -24.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -301.632390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.632390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.632390 (E_RNA)
where:
Base-Base interactions energy: -214.075
where: short stacking energy: -100.225
Base-Backbone interact. energy: 0.089
local terms energy: -87.646216
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -23.505
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: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -306.968470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.968470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.968470 (E_RNA)
where:
Base-Base interactions energy: -220.520
where: short stacking energy: -96.956
Base-Backbone interact. energy: -0.041
local terms energy: -86.407554
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -25.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -268.867872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.867872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.867872 (E_RNA)
where:
Base-Base interactions energy: -196.427
where: short stacking energy: -87.329
Base-Backbone interact. energy: -0.262
local terms energy: -72.179594
where:
bonds (distance) C4'-P energy: -6.914
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -283.753774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.753774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.753774 (E_RNA)
where:
Base-Base interactions energy: -207.969
where: short stacking energy: -92.534
Base-Backbone interact. energy: -0.152
local terms energy: -75.632526
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -9.494
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -24.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -272.233514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.233514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.233514 (E_RNA)
where:
Base-Base interactions energy: -196.895
where: short stacking energy: -93.716
Base-Backbone interact. energy: 0.151
local terms energy: -75.489624
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -19.466
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: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -196.889761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.889761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.889761 (E_RNA)
where:
Base-Base interactions energy: -132.942
where: short stacking energy: -66.969
Base-Backbone interact. energy: -0.143
local terms energy: -63.803964
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -9.945
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: 386
Temperature: 1.300000
Total energy: -215.242140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.242140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.242140 (E_RNA)
where:
Base-Base interactions energy: -146.910
where: short stacking energy: -72.405
Base-Backbone interact. energy: -0.637
local terms energy: -67.694614
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -13.841
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: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -212.323172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.323172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.323172 (E_RNA)
where:
Base-Base interactions energy: -152.175
where: short stacking energy: -53.333
Base-Backbone interact. energy: -0.588
local terms energy: -59.560777
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -7.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -324.354645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.354645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.354645 (E_RNA)
where:
Base-Base interactions energy: -232.483
where: short stacking energy: -96.414
Base-Backbone interact. energy: -0.310
local terms energy: -91.561398
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -26.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -312.192031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.192031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.192031 (E_RNA)
where:
Base-Base interactions energy: -224.743
where: short stacking energy: -103.725
Base-Backbone interact. energy: -0.285
local terms energy: -87.163840
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -26.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -311.459112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.459112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.459112 (E_RNA)
where:
Base-Base interactions energy: -224.511
where: short stacking energy: -101.208
Base-Backbone interact. energy: -0.001
local terms energy: -86.946996
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -25.431
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: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -305.769643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.769643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.769643 (E_RNA)
where:
Base-Base interactions energy: -216.849
where: short stacking energy: -94.822
Base-Backbone interact. energy: -0.075
local terms energy: -88.845223
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -26.837
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: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -275.633362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.633362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.633362 (E_RNA)
where:
Base-Base interactions energy: -196.571
where: short stacking energy: -80.228
Base-Backbone interact. energy: 0.176
local terms energy: -79.238261
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -17.589
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: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -308.128099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.128099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.128099 (E_RNA)
where:
Base-Base interactions energy: -224.531
where: short stacking energy: -101.566
Base-Backbone interact. energy: -0.001
local terms energy: -83.596681
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -24.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -253.250949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.250949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.250949 (E_RNA)
where:
Base-Base interactions energy: -184.690
where: short stacking energy: -83.064
Base-Backbone interact. energy: -0.095
local terms energy: -68.465905
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -224.760529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.760529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.760529 (E_RNA)
where:
Base-Base interactions energy: -150.540
where: short stacking energy: -77.853
Base-Backbone interact. energy: -0.027
local terms energy: -74.193350
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -212.827965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.827965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.827965 (E_RNA)
where:
Base-Base interactions energy: -145.943
where: short stacking energy: -62.244
Base-Backbone interact. energy: -0.186
local terms energy: -66.698710
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -15.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -188.103529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.103529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.103529 (E_RNA)
where:
Base-Base interactions energy: -132.489
where: short stacking energy: -69.239
Base-Backbone interact. energy: 0.417
local terms energy: -56.031820
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -6.979
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: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -322.609895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.609895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.609895 (E_RNA)
where:
Base-Base interactions energy: -241.376
where: short stacking energy: -103.694
Base-Backbone interact. energy: -0.045
local terms energy: -81.188816
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -26.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -314.795174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.795174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.795174 (E_RNA)
where:
Base-Base interactions energy: -229.421
where: short stacking energy: -108.678
Base-Backbone interact. energy: -0.000
local terms energy: -85.373568
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -25.244
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: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -324.800538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.800538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.800538 (E_RNA)
where:
Base-Base interactions energy: -240.590
where: short stacking energy: -108.117
Base-Backbone interact. energy: -0.509
local terms energy: -83.701065
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -23.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -303.163209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.163209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.163209 (E_RNA)
where:
Base-Base interactions energy: -213.881
where: short stacking energy: -86.303
Base-Backbone interact. energy: -0.051
local terms energy: -89.231639
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -25.357
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: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -294.715898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.715898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.715898 (E_RNA)
where:
Base-Base interactions energy: -210.441
where: short stacking energy: -88.498
Base-Backbone interact. energy: -0.052
local terms energy: -84.222444
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -259.562047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.562047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.562047 (E_RNA)
where:
Base-Base interactions energy: -178.355
where: short stacking energy: -78.158
Base-Backbone interact. energy: -0.103
local terms energy: -81.104394
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -212.169222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.169222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.169222 (E_RNA)
where:
Base-Base interactions energy: -144.984
where: short stacking energy: -68.681
Base-Backbone interact. energy: -0.475
local terms energy: -66.710106
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -241.544024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.544024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.544024 (E_RNA)
where:
Base-Base interactions energy: -173.586
where: short stacking energy: -67.519
Base-Backbone interact. energy: 0.967
local terms energy: -68.925643
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -12.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -189.986783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.986783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.986783 (E_RNA)
where:
Base-Base interactions energy: -129.052
where: short stacking energy: -75.975
Base-Backbone interact. energy: 3.426
local terms energy: -64.360745
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -10.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -210.679920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.679920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.679920 (E_RNA)
where:
Base-Base interactions energy: -137.402
where: short stacking energy: -64.432
Base-Backbone interact. energy: -0.948
local terms energy: -72.329969
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -318.635653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.635653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.635653 (E_RNA)
where:
Base-Base interactions energy: -239.214
where: short stacking energy: -104.356
Base-Backbone interact. energy: -0.014
local terms energy: -79.407830
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -23.609
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: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -321.517018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.517018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.517018 (E_RNA)
where:
Base-Base interactions energy: -236.259
where: short stacking energy: -107.138
Base-Backbone interact. energy: -0.219
local terms energy: -85.038950
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -25.530
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: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -305.859447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.859447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.859447 (E_RNA)
where:
Base-Base interactions energy: -224.259
where: short stacking energy: -95.848
Base-Backbone interact. energy: -0.003
local terms energy: -81.597950
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -22.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -290.179442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.179442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.179442 (E_RNA)
where:
Base-Base interactions energy: -208.268
where: short stacking energy: -96.292
Base-Backbone interact. energy: -0.016
local terms energy: -81.895254
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -25.814
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: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -292.866936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.866936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.866936 (E_RNA)
where:
Base-Base interactions energy: -202.659
where: short stacking energy: -86.709
Base-Backbone interact. energy: -0.757
local terms energy: -89.450533
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -25.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -190.490851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.490851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.490851 (E_RNA)
where:
Base-Base interactions energy: -128.156
where: short stacking energy: -70.025
Base-Backbone interact. energy: 0.444
local terms energy: -62.778836
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -258.868212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.868212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.868212 (E_RNA)
where:
Base-Base interactions energy: -184.208
where: short stacking energy: -85.817
Base-Backbone interact. energy: -0.332
local terms energy: -74.328685
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -14.892
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: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -254.464090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.464090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.464090 (E_RNA)
where:
Base-Base interactions energy: -176.822
where: short stacking energy: -74.057
Base-Backbone interact. energy: -0.871
local terms energy: -76.771111
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -13.601
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: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -204.025848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.025848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.025848 (E_RNA)
where:
Base-Base interactions energy: -130.727
where: short stacking energy: -73.533
Base-Backbone interact. energy: 0.004
local terms energy: -73.302512
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -184.548967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.548967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.548967 (E_RNA)
where:
Base-Base interactions energy: -119.822
where: short stacking energy: -56.542
Base-Backbone interact. energy: -0.239
local terms energy: -64.488176
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -14.502
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: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -323.108994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.108994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.108994 (E_RNA)
where:
Base-Base interactions energy: -239.631
where: short stacking energy: -106.044
Base-Backbone interact. energy: -0.614
local terms energy: -82.864325
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -23.886
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: 390
Temperature: 0.950000
Total energy: -316.321978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.321978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.321978 (E_RNA)
where:
Base-Base interactions energy: -233.086
where: short stacking energy: -99.513
Base-Backbone interact. energy: -0.020
local terms energy: -83.216389
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -22.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -309.500927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.500927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.500927 (E_RNA)
where:
Base-Base interactions energy: -224.698
where: short stacking energy: -94.339
Base-Backbone interact. energy: -0.002
local terms energy: -84.801271
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -24.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -290.782199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.782199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.782199 (E_RNA)
where:
Base-Base interactions energy: -209.970
where: short stacking energy: -98.064
Base-Backbone interact. energy: -0.020
local terms energy: -80.791439
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -24.199
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: 390
Temperature: 1.100000
Total energy: -297.681496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.681496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.681496 (E_RNA)
where:
Base-Base interactions energy: -214.768
where: short stacking energy: -88.394
Base-Backbone interact. energy: -0.144
local terms energy: -82.769913
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -21.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -219.079162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.079162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.079162 (E_RNA)
where:
Base-Base interactions energy: -149.545
where: short stacking energy: -73.820
Base-Backbone interact. energy: -1.040
local terms energy: -68.494153
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -270.604912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.604912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.604912 (E_RNA)
where:
Base-Base interactions energy: -194.298
where: short stacking energy: -73.763
Base-Backbone interact. energy: -0.399
local terms energy: -75.907445
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -19.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -238.491515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.491515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.491515 (E_RNA)
where:
Base-Base interactions energy: -169.012
where: short stacking energy: -69.928
Base-Backbone interact. energy: -0.486
local terms energy: -68.993606
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -10.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -195.689243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.689243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.689243 (E_RNA)
where:
Base-Base interactions energy: -119.218
where: short stacking energy: -66.656
Base-Backbone interact. energy: -0.059
local terms energy: -76.411870
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -11.081
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: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -207.249044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.249044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.249044 (E_RNA)
where:
Base-Base interactions energy: -140.390
where: short stacking energy: -68.516
Base-Backbone interact. energy: 0.183
local terms energy: -67.041943
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -13.721
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: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -314.994421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.994421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.994421 (E_RNA)
where:
Base-Base interactions energy: -231.815
where: short stacking energy: -101.744
Base-Backbone interact. energy: -0.172
local terms energy: -83.006814
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -23.939
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: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -318.575943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.575943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.575943 (E_RNA)
where:
Base-Base interactions energy: -229.429
where: short stacking energy: -97.959
Base-Backbone interact. energy: -0.083
local terms energy: -89.063883
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -24.476
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: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -305.765054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.765054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.765054 (E_RNA)
where:
Base-Base interactions energy: -218.782
where: short stacking energy: -100.226
Base-Backbone interact. energy: -0.141
local terms energy: -86.841900
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -26.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -291.876534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.876534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.876534 (E_RNA)
where:
Base-Base interactions energy: -207.508
where: short stacking energy: -98.343
Base-Backbone interact. energy: -0.009
local terms energy: -84.359743
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -294.315227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.315227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.315227 (E_RNA)
where:
Base-Base interactions energy: -214.371
where: short stacking energy: -93.114
Base-Backbone interact. energy: -0.057
local terms energy: -79.887786
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -23.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -284.310221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.310221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.310221 (E_RNA)
where:
Base-Base interactions energy: -215.288
where: short stacking energy: -91.095
Base-Backbone interact. energy: -0.292
local terms energy: -68.730332
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -20.165
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: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -214.931838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.931838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.931838 (E_RNA)
where:
Base-Base interactions energy: -136.980
where: short stacking energy: -73.480
Base-Backbone interact. energy: 0.247
local terms energy: -78.199196
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -202.900808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.900808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.900808 (E_RNA)
where:
Base-Base interactions energy: -133.045
where: short stacking energy: -72.752
Base-Backbone interact. energy: -0.008
local terms energy: -69.848524
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -244.412196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.412196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.412196 (E_RNA)
where:
Base-Base interactions energy: -179.270
where: short stacking energy: -70.291
Base-Backbone interact. energy: -0.639
local terms energy: -64.503501
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -12.076
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: 391
Temperature: 1.350000
Total energy: -199.329490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.329490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.329490 (E_RNA)
where:
Base-Base interactions energy: -141.298
where: short stacking energy: -63.869
Base-Backbone interact. energy: -0.822
local terms energy: -57.209517
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -5.922
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: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -325.870344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.870344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.870344 (E_RNA)
where:
Base-Base interactions energy: -243.852
where: short stacking energy: -107.847
Base-Backbone interact. energy: -0.020
local terms energy: -81.998034
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -23.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -309.405176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.405176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.405176 (E_RNA)
where:
Base-Base interactions energy: -227.281
where: short stacking energy: -97.072
Base-Backbone interact. energy: -0.008
local terms energy: -82.115823
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -24.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -310.347029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.347029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.347029 (E_RNA)
where:
Base-Base interactions energy: -224.960
where: short stacking energy: -101.029
Base-Backbone interact. energy: -0.261
local terms energy: -85.126226
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -23.386
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: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -294.401947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.401947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.401947 (E_RNA)
where:
Base-Base interactions energy: -209.955
where: short stacking energy: -91.404
Base-Backbone interact. energy: -0.102
local terms energy: -84.344332
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -23.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -302.469872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.469872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.469872 (E_RNA)
where:
Base-Base interactions energy: -216.779
where: short stacking energy: -93.990
Base-Backbone interact. energy: -0.284
local terms energy: -85.407126
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -264.936273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.936273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.936273 (E_RNA)
where:
Base-Base interactions energy: -197.343
where: short stacking energy: -76.148
Base-Backbone interact. energy: -0.544
local terms energy: -67.049699
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -210.748665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.748665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.748665 (E_RNA)
where:
Base-Base interactions energy: -149.015
where: short stacking energy: -77.209
Base-Backbone interact. energy: -0.004
local terms energy: -61.729666
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -4.777
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: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -200.157231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.157231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.157231 (E_RNA)
where:
Base-Base interactions energy: -123.378
where: short stacking energy: -68.151
Base-Backbone interact. energy: -0.617
local terms energy: -76.162138
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -12.473
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: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -239.639437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.639437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.639437 (E_RNA)
where:
Base-Base interactions energy: -165.367
where: short stacking energy: -92.273
Base-Backbone interact. energy: -0.219
local terms energy: -74.053813
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -9.607
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: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -225.054386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.054386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.054386 (E_RNA)
where:
Base-Base interactions energy: -163.167
where: short stacking energy: -59.507
Base-Backbone interact. energy: 0.895
local terms energy: -62.782233
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -8.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -323.812722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.812722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.812722 (E_RNA)
where:
Base-Base interactions energy: -241.583
where: short stacking energy: -99.248
Base-Backbone interact. energy: -0.003
local terms energy: -82.227139
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -22.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -312.539563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.539563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.539563 (E_RNA)
where:
Base-Base interactions energy: -228.996
where: short stacking energy: -102.995
Base-Backbone interact. energy: -0.360
local terms energy: -83.184437
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -25.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -310.990147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.990147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.990147 (E_RNA)
where:
Base-Base interactions energy: -230.423
where: short stacking energy: -111.967
Base-Backbone interact. energy: -0.220
local terms energy: -80.346770
where:
bonds (distance) C4'-P energy: -8.726
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -26.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -301.306468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.306468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.306468 (E_RNA)
where:
Base-Base interactions energy: -211.683
where: short stacking energy: -93.710
Base-Backbone interact. energy: 0.420
local terms energy: -90.043279
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -24.791
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: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -291.709911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.709911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.709911 (E_RNA)
where:
Base-Base interactions energy: -209.988
where: short stacking energy: -90.081
Base-Backbone interact. energy: -0.178
local terms energy: -81.544376
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -26.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -246.041326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.041326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.041326 (E_RNA)
where:
Base-Base interactions energy: -182.994
where: short stacking energy: -73.528
Base-Backbone interact. energy: -0.134
local terms energy: -62.912693
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -202.730361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.730361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.730361 (E_RNA)
where:
Base-Base interactions energy: -137.425
where: short stacking energy: -77.588
Base-Backbone interact. energy: 0.044
local terms energy: -65.349048
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -16.602
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: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -228.738591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.738591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.738591 (E_RNA)
where:
Base-Base interactions energy: -150.408
where: short stacking energy: -70.515
Base-Backbone interact. energy: -0.195
local terms energy: -78.135795
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -181.268407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.268407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.268407 (E_RNA)
where:
Base-Base interactions energy: -117.600
where: short stacking energy: -55.860
Base-Backbone interact. energy: 0.265
local terms energy: -63.933720
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -10.883
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: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -238.182202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.182202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.182202 (E_RNA)
where:
Base-Base interactions energy: -164.098
where: short stacking energy: -72.072
Base-Backbone interact. energy: -1.566
local terms energy: -72.518016
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -321.568995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.568995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.568995 (E_RNA)
where:
Base-Base interactions energy: -235.899
where: short stacking energy: -102.043
Base-Backbone interact. energy: -0.407
local terms energy: -85.263407
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -25.124
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: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -327.776067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.776067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.776067 (E_RNA)
where:
Base-Base interactions energy: -243.361
where: short stacking energy: -103.929
Base-Backbone interact. energy: -0.002
local terms energy: -84.413108
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -25.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -299.967028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.967028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.967028 (E_RNA)
where:
Base-Base interactions energy: -212.727
where: short stacking energy: -100.201
Base-Backbone interact. energy: -0.025
local terms energy: -87.215587
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -24.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -297.187804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.187804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.187804 (E_RNA)
where:
Base-Base interactions energy: -213.074
where: short stacking energy: -94.850
Base-Backbone interact. energy: -0.005
local terms energy: -84.108103
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -22.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -290.340347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.340347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.340347 (E_RNA)
where:
Base-Base interactions energy: -211.692
where: short stacking energy: -88.713
Base-Backbone interact. energy: -0.070
local terms energy: -78.578781
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -228.268130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.268130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.268130 (E_RNA)
where:
Base-Base interactions energy: -152.193
where: short stacking energy: -70.397
Base-Backbone interact. energy: -0.955
local terms energy: -75.120900
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -15.363
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: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -243.088170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.088170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.088170 (E_RNA)
where:
Base-Base interactions energy: -165.021
where: short stacking energy: -84.037
Base-Backbone interact. energy: -0.003
local terms energy: -78.063810
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -196.521158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.521158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.521158 (E_RNA)
where:
Base-Base interactions energy: -122.144
where: short stacking energy: -54.543
Base-Backbone interact. energy: -0.336
local terms energy: -74.041068
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -187.412307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.412307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.412307 (E_RNA)
where:
Base-Base interactions energy: -131.405
where: short stacking energy: -60.228
Base-Backbone interact. energy: -0.485
local terms energy: -55.522931
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -180.013135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.013135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.013135 (E_RNA)
where:
Base-Base interactions energy: -119.537
where: short stacking energy: -53.790
Base-Backbone interact. energy: -0.274
local terms energy: -60.202125
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -7.496
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: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -324.008399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.008399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.008399 (E_RNA)
where:
Base-Base interactions energy: -231.971
where: short stacking energy: -96.452
Base-Backbone interact. energy: -0.073
local terms energy: -91.963862
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -26.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -302.431171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.431171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.431171 (E_RNA)
where:
Base-Base interactions energy: -213.149
where: short stacking energy: -90.438
Base-Backbone interact. energy: -0.094
local terms energy: -89.187699
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -26.067
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: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -316.869317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.869317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.869317 (E_RNA)
where:
Base-Base interactions energy: -238.115
where: short stacking energy: -102.714
Base-Backbone interact. energy: -0.015
local terms energy: -78.738683
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -25.480
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: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -303.549150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.549150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.549150 (E_RNA)
where:
Base-Base interactions energy: -216.391
where: short stacking energy: -93.797
Base-Backbone interact. energy: -0.240
local terms energy: -86.917935
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -25.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -291.354413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.354413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.354413 (E_RNA)
where:
Base-Base interactions energy: -207.656
where: short stacking energy: -83.138
Base-Backbone interact. energy: -0.110
local terms energy: -83.589007
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -23.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -248.794244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.794244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.794244 (E_RNA)
where:
Base-Base interactions energy: -165.586
where: short stacking energy: -85.256
Base-Backbone interact. energy: -0.660
local terms energy: -82.548416
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -12.047
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: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -236.697953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.697953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.697953 (E_RNA)
where:
Base-Base interactions energy: -155.593
where: short stacking energy: -80.857
Base-Backbone interact. energy: -0.759
local terms energy: -80.345602
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -212.842768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.842768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.842768 (E_RNA)
where:
Base-Base interactions energy: -134.786
where: short stacking energy: -74.904
Base-Backbone interact. energy: -0.185
local terms energy: -77.871768
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -200.778089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.778089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.778089 (E_RNA)
where:
Base-Base interactions energy: -140.481
where: short stacking energy: -72.125
Base-Backbone interact. energy: -0.243
local terms energy: -60.053831
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -9.719
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -180.975339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.975339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.975339 (E_RNA)
where:
Base-Base interactions energy: -119.118
where: short stacking energy: -59.889
Base-Backbone interact. energy: 0.914
local terms energy: -62.770810
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -12.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -317.418546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.418546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.418546 (E_RNA)
where:
Base-Base interactions energy: -226.996
where: short stacking energy: -95.762
Base-Backbone interact. energy: -0.074
local terms energy: -90.348995
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -27.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -306.895765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.895765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.895765 (E_RNA)
where:
Base-Base interactions energy: -222.612
where: short stacking energy: -94.980
Base-Backbone interact. energy: -0.218
local terms energy: -84.064960
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -296.044872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.044872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.044872 (E_RNA)
where:
Base-Base interactions energy: -207.684
where: short stacking energy: -96.223
Base-Backbone interact. energy: 1.276
local terms energy: -89.636341
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -25.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -307.335805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.335805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.335805 (E_RNA)
where:
Base-Base interactions energy: -221.297
where: short stacking energy: -101.693
Base-Backbone interact. energy: -0.047
local terms energy: -85.992346
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -300.231281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.231281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.231281 (E_RNA)
where:
Base-Base interactions energy: -215.567
where: short stacking energy: -100.451
Base-Backbone interact. energy: -0.005
local terms energy: -84.659706
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -245.019100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.019100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.019100 (E_RNA)
where:
Base-Base interactions energy: -173.193
where: short stacking energy: -79.993
Base-Backbone interact. energy: -0.241
local terms energy: -71.584643
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -240.914610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.914610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.914610 (E_RNA)
where:
Base-Base interactions energy: -167.974
where: short stacking energy: -89.311
Base-Backbone interact. energy: -1.223
local terms energy: -71.718125
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -218.894410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.894410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.894410 (E_RNA)
where:
Base-Base interactions energy: -154.780
where: short stacking energy: -66.750
Base-Backbone interact. energy: 1.191
local terms energy: -65.305507
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -10.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -184.473848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.473848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.473848 (E_RNA)
where:
Base-Base interactions energy: -120.175
where: short stacking energy: -54.823
Base-Backbone interact. energy: -0.285
local terms energy: -64.013167
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -189.306813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.306813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.306813 (E_RNA)
where:
Base-Base interactions energy: -122.831
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.111
local terms energy: -66.364547
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -322.541844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.541844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.541844 (E_RNA)
where:
Base-Base interactions energy: -229.942
where: short stacking energy: -93.996
Base-Backbone interact. energy: -0.002
local terms energy: -92.598233
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -12.487
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: 2, replica: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -310.287569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.287569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.287569 (E_RNA)
where:
Base-Base interactions energy: -226.429
where: short stacking energy: -91.627
Base-Backbone interact. energy: -0.175
local terms energy: -83.684008
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -22.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -302.670696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.670696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.670696 (E_RNA)
where:
Base-Base interactions energy: -214.230
where: short stacking energy: -100.039
Base-Backbone interact. energy: -0.002
local terms energy: -88.438878
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -23.347
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: 4, replica: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -310.465296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.465296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.465296 (E_RNA)
where:
Base-Base interactions energy: -219.389
where: short stacking energy: -104.374
Base-Backbone interact. energy: -0.001
local terms energy: -91.075521
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -25.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -303.595370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.595370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.595370 (E_RNA)
where:
Base-Base interactions energy: -220.062
where: short stacking energy: -96.715
Base-Backbone interact. energy: -0.002
local terms energy: -83.531674
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -242.146113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146113 (E_RNA)
where:
Base-Base interactions energy: -158.463
where: short stacking energy: -80.152
Base-Backbone interact. energy: -0.758
local terms energy: -82.925513
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -22.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -247.339523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.339523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.339523 (E_RNA)
where:
Base-Base interactions energy: -168.731
where: short stacking energy: -70.430
Base-Backbone interact. energy: -0.137
local terms energy: -78.471311
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -225.631436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.631436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.631436 (E_RNA)
where:
Base-Base interactions energy: -158.625
where: short stacking energy: -67.285
Base-Backbone interact. energy: -0.785
local terms energy: -66.221058
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -206.259111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.259111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.259111 (E_RNA)
where:
Base-Base interactions energy: -133.320
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.104
local terms energy: -72.834818
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -8.828
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: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -177.031576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.031576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.031576 (E_RNA)
where:
Base-Base interactions energy: -113.922
where: short stacking energy: -49.509
Base-Backbone interact. energy: -1.293
local terms energy: -61.816179
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -318.776866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.776866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.776866 (E_RNA)
where:
Base-Base interactions energy: -229.778
where: short stacking energy: -94.156
Base-Backbone interact. energy: -0.003
local terms energy: -88.996296
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -25.202
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: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -309.842296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.842296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.842296 (E_RNA)
where:
Base-Base interactions energy: -223.982
where: short stacking energy: -93.891
Base-Backbone interact. energy: -0.006
local terms energy: -85.854733
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -24.976
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: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -304.227329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.227329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.227329 (E_RNA)
where:
Base-Base interactions energy: -210.423
where: short stacking energy: -100.007
Base-Backbone interact. energy: -0.065
local terms energy: -93.739555
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -24.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -298.933502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.933502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.933502 (E_RNA)
where:
Base-Base interactions energy: -216.516
where: short stacking energy: -92.668
Base-Backbone interact. energy: -0.094
local terms energy: -82.323771
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -23.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -310.179842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.179842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.179842 (E_RNA)
where:
Base-Base interactions energy: -218.422
where: short stacking energy: -104.559
Base-Backbone interact. energy: -0.005
local terms energy: -91.752913
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -245.763269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.763269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.763269 (E_RNA)
where:
Base-Base interactions energy: -166.738
where: short stacking energy: -82.619
Base-Backbone interact. energy: -0.251
local terms energy: -78.774109
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -20.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -236.620434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.620434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.620434 (E_RNA)
where:
Base-Base interactions energy: -156.694
where: short stacking energy: -71.672
Base-Backbone interact. energy: -0.661
local terms energy: -79.265440
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -17.735
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: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -228.328721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.328721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.328721 (E_RNA)
where:
Base-Base interactions energy: -151.236
where: short stacking energy: -74.027
Base-Backbone interact. energy: -0.007
local terms energy: -77.086590
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -15.430
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: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -189.195660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.195660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.195660 (E_RNA)
where:
Base-Base interactions energy: -130.395
where: short stacking energy: -70.158
Base-Backbone interact. energy: 0.550
local terms energy: -59.350578
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -12.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -177.732899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.732899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.732899 (E_RNA)
where:
Base-Base interactions energy: -111.127
where: short stacking energy: -60.534
Base-Backbone interact. energy: -0.103
local terms energy: -66.502999
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -11.174
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: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -323.941412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.941412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.941412 (E_RNA)
where:
Base-Base interactions energy: -231.187
where: short stacking energy: -102.848
Base-Backbone interact. energy: -0.002
local terms energy: -92.752387
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -23.893
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: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -315.085169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.085169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.085169 (E_RNA)
where:
Base-Base interactions energy: -226.077
where: short stacking energy: -101.847
Base-Backbone interact. energy: 0.544
local terms energy: -89.552221
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -22.726
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: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -304.953985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.953985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.953985 (E_RNA)
where:
Base-Base interactions energy: -214.846
where: short stacking energy: -96.038
Base-Backbone interact. energy: -0.374
local terms energy: -89.734242
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -24.259
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: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -303.647619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.647619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.647619 (E_RNA)
where:
Base-Base interactions energy: -214.308
where: short stacking energy: -89.157
Base-Backbone interact. energy: -0.026
local terms energy: -89.313062
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -23.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -293.804819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.804819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.804819 (E_RNA)
where:
Base-Base interactions energy: -215.773
where: short stacking energy: -94.852
Base-Backbone interact. energy: -0.158
local terms energy: -77.873844
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -259.252338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.252338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.252338 (E_RNA)
where:
Base-Base interactions energy: -177.393
where: short stacking energy: -96.379
Base-Backbone interact. energy: -0.212
local terms energy: -81.647658
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -24.452
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: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -209.035267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.035267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.035267 (E_RNA)
where:
Base-Base interactions energy: -137.265
where: short stacking energy: -70.193
Base-Backbone interact. energy: -0.261
local terms energy: -71.509743
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -13.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -198.343216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.343216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.343216 (E_RNA)
where:
Base-Base interactions energy: -130.214
where: short stacking energy: -65.975
Base-Backbone interact. energy: -0.083
local terms energy: -68.046096
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -7.957
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: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -234.722741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.722741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.722741 (E_RNA)
where:
Base-Base interactions energy: -168.108
where: short stacking energy: -76.249
Base-Backbone interact. energy: -0.440
local terms energy: -66.175242
where:
bonds (distance) C4'-P energy: -8.170
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -11.231
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: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -179.362879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.362879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.362879 (E_RNA)
where:
Base-Base interactions energy: -125.340
where: short stacking energy: -66.880
Base-Backbone interact. energy: -0.073
local terms energy: -53.949734
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -316.899886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.899886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.899886 (E_RNA)
where:
Base-Base interactions energy: -225.884
where: short stacking energy: -107.076
Base-Backbone interact. energy: -0.000
local terms energy: -91.015106
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -27.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -317.231912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.231912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.231912 (E_RNA)
where:
Base-Base interactions energy: -231.585
where: short stacking energy: -105.438
Base-Backbone interact. energy: -0.125
local terms energy: -85.521422
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -27.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -303.913539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.913539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.913539 (E_RNA)
where:
Base-Base interactions energy: -210.503
where: short stacking energy: -86.546
Base-Backbone interact. energy: -2.058
local terms energy: -91.352437
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -24.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -302.360115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.360115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.360115 (E_RNA)
where:
Base-Base interactions energy: -215.908
where: short stacking energy: -92.415
Base-Backbone interact. energy: -0.623
local terms energy: -85.829119
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -25.160
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: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -304.144643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.144643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.144643 (E_RNA)
where:
Base-Base interactions energy: -228.422
where: short stacking energy: -94.553
Base-Backbone interact. energy: -0.074
local terms energy: -75.648805
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -21.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -250.093378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.093378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.093378 (E_RNA)
where:
Base-Base interactions energy: -167.689
where: short stacking energy: -101.382
Base-Backbone interact. energy: -1.304
local terms energy: -81.100867
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -25.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -210.596602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.596602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.596602 (E_RNA)
where:
Base-Base interactions energy: -142.575
where: short stacking energy: -69.534
Base-Backbone interact. energy: 0.117
local terms energy: -68.138525
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -14.948
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: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -218.934248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.934248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.934248 (E_RNA)
where:
Base-Base interactions energy: -154.699
where: short stacking energy: -59.600
Base-Backbone interact. energy: -0.556
local terms energy: -63.679847
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -198.910417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.910417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.910417 (E_RNA)
where:
Base-Base interactions energy: -124.706
where: short stacking energy: -63.794
Base-Backbone interact. energy: -0.057
local terms energy: -74.146923
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -13.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -194.450307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.450307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.450307 (E_RNA)
where:
Base-Base interactions energy: -139.316
where: short stacking energy: -63.100
Base-Backbone interact. energy: 3.637
local terms energy: -58.770620
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -320.231529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.231529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.231529 (E_RNA)
where:
Base-Base interactions energy: -227.680
where: short stacking energy: -104.550
Base-Backbone interact. energy: -0.042
local terms energy: -92.509655
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -24.728
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: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -316.298159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.298159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.298159 (E_RNA)
where:
Base-Base interactions energy: -228.626
where: short stacking energy: -98.040
Base-Backbone interact. energy: -0.001
local terms energy: -87.670698
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -24.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -303.910745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.910745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.910745 (E_RNA)
where:
Base-Base interactions energy: -220.674
where: short stacking energy: -91.269
Base-Backbone interact. energy: -0.140
local terms energy: -83.096152
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -22.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -306.911324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.911324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.911324 (E_RNA)
where:
Base-Base interactions energy: -218.749
where: short stacking energy: -98.164
Base-Backbone interact. energy: -0.002
local terms energy: -88.160510
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -25.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -291.534902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.534902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.534902 (E_RNA)
where:
Base-Base interactions energy: -206.442
where: short stacking energy: -98.794
Base-Backbone interact. energy: -0.020
local terms energy: -85.072403
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -23.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -261.984088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.984088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.984088 (E_RNA)
where:
Base-Base interactions energy: -187.898
where: short stacking energy: -82.544
Base-Backbone interact. energy: -0.044
local terms energy: -74.042210
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -17.092
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: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -226.810389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.810389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.810389 (E_RNA)
where:
Base-Base interactions energy: -162.844
where: short stacking energy: -59.042
Base-Backbone interact. energy: -0.191
local terms energy: -63.774776
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -3.402
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: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -243.924461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.924461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.924461 (E_RNA)
where:
Base-Base interactions energy: -179.575
where: short stacking energy: -76.286
Base-Backbone interact. energy: -0.402
local terms energy: -63.947206
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -11.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -192.665379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.665379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.665379 (E_RNA)
where:
Base-Base interactions energy: -132.800
where: short stacking energy: -62.897
Base-Backbone interact. energy: -0.112
local terms energy: -59.753259
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -6.689
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: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -179.810200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.810200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.810200 (E_RNA)
where:
Base-Base interactions energy: -112.712
where: short stacking energy: -55.940
Base-Backbone interact. energy: -0.241
local terms energy: -66.857368
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -9.333
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: 402
Temperature: 0.900000
Total energy: -321.370637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.370637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.370637 (E_RNA)
where:
Base-Base interactions energy: -235.880
where: short stacking energy: -101.081
Base-Backbone interact. energy: -0.091
local terms energy: -85.399410
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -21.129
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -25.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -307.995446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.995446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.995446 (E_RNA)
where:
Base-Base interactions energy: -223.172
where: short stacking energy: -96.452
Base-Backbone interact. energy: 0.602
local terms energy: -85.425742
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -23.480
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: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -307.431391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.431391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.431391 (E_RNA)
where:
Base-Base interactions energy: -217.834
where: short stacking energy: -94.458
Base-Backbone interact. energy: -0.122
local terms energy: -89.476106
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -24.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -302.501487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.501487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.501487 (E_RNA)
where:
Base-Base interactions energy: -216.536
where: short stacking energy: -106.149
Base-Backbone interact. energy: -0.212
local terms energy: -85.753922
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -23.682
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: 402
Temperature: 1.100000
Total energy: -270.542163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.542163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.542163 (E_RNA)
where:
Base-Base interactions energy: -197.531
where: short stacking energy: -89.052
Base-Backbone interact. energy: -0.447
local terms energy: -72.563749
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -3.259
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: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -295.140309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.140309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.140309 (E_RNA)
where:
Base-Base interactions energy: -221.060
where: short stacking energy: -88.524
Base-Backbone interact. energy: -0.116
local terms energy: -73.964983
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -22.785
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: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -249.793409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.793409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.793409 (E_RNA)
where:
Base-Base interactions energy: -189.863
where: short stacking energy: -82.060
Base-Backbone interact. energy: 0.830
local terms energy: -60.760616
where:
bonds (distance) C4'-P energy: -7.097
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -191.698410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.698410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.698410 (E_RNA)
where:
Base-Base interactions energy: -132.789
where: short stacking energy: -70.023
Base-Backbone interact. energy: -0.170
local terms energy: -58.739570
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -188.198387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.198387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.198387 (E_RNA)
where:
Base-Base interactions energy: -119.337
where: short stacking energy: -51.945
Base-Backbone interact. energy: -0.188
local terms energy: -68.672499
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -7.921
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: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -207.329612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.329612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.329612 (E_RNA)
where:
Base-Base interactions energy: -143.853
where: short stacking energy: -66.539
Base-Backbone interact. energy: 0.848
local terms energy: -64.325005
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -321.503571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.503571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.503571 (E_RNA)
where:
Base-Base interactions energy: -232.318
where: short stacking energy: -99.850
Base-Backbone interact. energy: -0.002
local terms energy: -89.183627
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -27.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -316.913287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.913287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.913287 (E_RNA)
where:
Base-Base interactions energy: -227.326
where: short stacking energy: -95.355
Base-Backbone interact. energy: -0.145
local terms energy: -89.442256
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -22.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -307.406550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.406550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.406550 (E_RNA)
where:
Base-Base interactions energy: -219.590
where: short stacking energy: -99.973
Base-Backbone interact. energy: -0.083
local terms energy: -87.733401
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -25.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -303.712404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.712404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.712404 (E_RNA)
where:
Base-Base interactions energy: -213.811
where: short stacking energy: -96.193
Base-Backbone interact. energy: -0.004
local terms energy: -89.897260
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -26.476
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: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -260.994044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.994044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.994044 (E_RNA)
where:
Base-Base interactions energy: -191.428
where: short stacking energy: -92.447
Base-Backbone interact. energy: 2.181
local terms energy: -71.747622
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -2.162
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: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -288.257766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.257766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.257766 (E_RNA)
where:
Base-Base interactions energy: -204.079
where: short stacking energy: -96.784
Base-Backbone interact. energy: -0.002
local terms energy: -84.177306
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -25.390
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: 403
Temperature: 1.200000
Total energy: -255.491965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.491965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.491965 (E_RNA)
where:
Base-Base interactions energy: -187.967
where: short stacking energy: -76.177
Base-Backbone interact. energy: -0.033
local terms energy: -67.491689
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -18.256
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: 403
Temperature: 1.250000
Total energy: -202.592092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.592092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.592092 (E_RNA)
where:
Base-Base interactions energy: -135.304
where: short stacking energy: -62.612
Base-Backbone interact. energy: -2.122
local terms energy: -65.165927
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -4.836
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: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -190.183332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.183332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.183332 (E_RNA)
where:
Base-Base interactions energy: -115.624
where: short stacking energy: -53.156
Base-Backbone interact. energy: -0.095
local terms energy: -74.464306
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -7.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -195.737637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.737637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.737637 (E_RNA)
where:
Base-Base interactions energy: -125.594
where: short stacking energy: -67.541
Base-Backbone interact. energy: -0.045
local terms energy: -70.098453
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -313.444781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.444781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.444781 (E_RNA)
where:
Base-Base interactions energy: -221.764
where: short stacking energy: -106.114
Base-Backbone interact. energy: -0.004
local terms energy: -91.676389
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -23.639
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: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -311.531389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.531389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.531389 (E_RNA)
where:
Base-Base interactions energy: -225.828
where: short stacking energy: -103.041
Base-Backbone interact. energy: -0.006
local terms energy: -85.697386
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -24.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -310.293873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.293873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.293873 (E_RNA)
where:
Base-Base interactions energy: -225.299
where: short stacking energy: -98.857
Base-Backbone interact. energy: -0.002
local terms energy: -84.993299
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -10.068
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -24.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -306.664136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.664136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.664136 (E_RNA)
where:
Base-Base interactions energy: -222.522
where: short stacking energy: -95.125
Base-Backbone interact. energy: -0.014
local terms energy: -84.128145
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -24.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -303.507348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.507348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.507348 (E_RNA)
where:
Base-Base interactions energy: -222.883
where: short stacking energy: -91.234
Base-Backbone interact. energy: -0.015
local terms energy: -80.609485
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -26.317
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: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -217.699468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.699468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.699468 (E_RNA)
where:
Base-Base interactions energy: -141.279
where: short stacking energy: -71.473
Base-Backbone interact. energy: -0.081
local terms energy: -76.338841
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -217.580864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.580864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.580864 (E_RNA)
where:
Base-Base interactions energy: -145.599
where: short stacking energy: -85.663
Base-Backbone interact. energy: -0.310
local terms energy: -71.671811
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -236.765098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.765098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.765098 (E_RNA)
where:
Base-Base interactions energy: -162.670
where: short stacking energy: -77.677
Base-Backbone interact. energy: -1.349
local terms energy: -72.746081
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -15.405
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: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -216.910285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.910285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.910285 (E_RNA)
where:
Base-Base interactions energy: -156.832
where: short stacking energy: -62.884
Base-Backbone interact. energy: -0.702
local terms energy: -59.376697
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -9.674
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: 404
Temperature: 1.350000
Total energy: -208.513741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.513741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.513741 (E_RNA)
where:
Base-Base interactions energy: -131.748
where: short stacking energy: -71.784
Base-Backbone interact. energy: -0.056
local terms energy: -76.709877
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -315.470100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.470100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.470100 (E_RNA)
where:
Base-Base interactions energy: -223.738
where: short stacking energy: -102.977
Base-Backbone interact. energy: 0.435
local terms energy: -92.167424
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -25.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -311.368913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.368913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.368913 (E_RNA)
where:
Base-Base interactions energy: -220.780
where: short stacking energy: -94.990
Base-Backbone interact. energy: 0.945
local terms energy: -91.533949
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -19.050
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: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -304.074573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.074573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.074573 (E_RNA)
where:
Base-Base interactions energy: -221.008
where: short stacking energy: -91.394
Base-Backbone interact. energy: -0.108
local terms energy: -82.959126
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -299.445328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.445328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.445328 (E_RNA)
where:
Base-Base interactions energy: -215.861
where: short stacking energy: -84.963
Base-Backbone interact. energy: 0.382
local terms energy: -83.965936
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -22.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -297.141145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.141145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.141145 (E_RNA)
where:
Base-Base interactions energy: -221.268
where: short stacking energy: -92.328
Base-Backbone interact. energy: -0.135
local terms energy: -75.739000
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -1.743
tors. eta vs tors. theta energy: -25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -217.491736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.491736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.491736 (E_RNA)
where:
Base-Base interactions energy: -148.823
where: short stacking energy: -65.334
Base-Backbone interact. energy: -0.429
local terms energy: -68.240533
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -235.312490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.312490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.312490 (E_RNA)
where:
Base-Base interactions energy: -159.316
where: short stacking energy: -68.741
Base-Backbone interact. energy: -0.598
local terms energy: -75.398335
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -17.011
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: 405
Temperature: 1.250000
Total energy: -241.703471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.703471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.703471 (E_RNA)
where:
Base-Base interactions energy: -171.874
where: short stacking energy: -77.926
Base-Backbone interact. energy: 0.242
local terms energy: -70.071649
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -225.622195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.622195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.622195 (E_RNA)
where:
Base-Base interactions energy: -160.737
where: short stacking energy: -67.251
Base-Backbone interact. energy: 0.124
local terms energy: -65.009024
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -201.147930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.147930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.147930 (E_RNA)
where:
Base-Base interactions energy: -133.092
where: short stacking energy: -67.792
Base-Backbone interact. energy: -0.083
local terms energy: -67.973500
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -10.935
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: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -315.538286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.538286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.538286 (E_RNA)
where:
Base-Base interactions energy: -223.884
where: short stacking energy: -99.770
Base-Backbone interact. energy: -0.014
local terms energy: -91.640092
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -307.824668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.824668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.824668 (E_RNA)
where:
Base-Base interactions energy: -216.001
where: short stacking energy: -96.417
Base-Backbone interact. energy: -0.008
local terms energy: -91.815470
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -26.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -307.810494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.810494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.810494 (E_RNA)
where:
Base-Base interactions energy: -220.284
where: short stacking energy: -100.306
Base-Backbone interact. energy: -0.007
local terms energy: -87.520096
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -302.564486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.564486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.564486 (E_RNA)
where:
Base-Base interactions energy: -217.054
where: short stacking energy: -103.648
Base-Backbone interact. energy: -0.007
local terms energy: -85.503717
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -26.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -294.454178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.454178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.454178 (E_RNA)
where:
Base-Base interactions energy: -201.026
where: short stacking energy: -85.706
Base-Backbone interact. energy: -0.001
local terms energy: -93.426858
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -25.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -221.403296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.403296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.403296 (E_RNA)
where:
Base-Base interactions energy: -158.150
where: short stacking energy: -75.701
Base-Backbone interact. energy: 0.560
local terms energy: -63.813534
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -0.681
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -228.210055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.210055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.210055 (E_RNA)
where:
Base-Base interactions energy: -155.136
where: short stacking energy: -68.113
Base-Backbone interact. energy: -0.003
local terms energy: -73.070570
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -250.971408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.971408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.971408 (E_RNA)
where:
Base-Base interactions energy: -173.973
where: short stacking energy: -68.761
Base-Backbone interact. energy: 0.485
local terms energy: -77.483540
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -208.286082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.286082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.286082 (E_RNA)
where:
Base-Base interactions energy: -134.283
where: short stacking energy: -71.916
Base-Backbone interact. energy: -0.777
local terms energy: -73.226132
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -192.065438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.065438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.065438 (E_RNA)
where:
Base-Base interactions energy: -129.124
where: short stacking energy: -60.005
Base-Backbone interact. energy: -1.008
local terms energy: -61.933888
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -10.286
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: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -317.109095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.109095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.109095 (E_RNA)
where:
Base-Base interactions energy: -222.662
where: short stacking energy: -104.846
Base-Backbone interact. energy: -0.323
local terms energy: -94.123803
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -25.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -307.436619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.436619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.436619 (E_RNA)
where:
Base-Base interactions energy: -220.518
where: short stacking energy: -95.810
Base-Backbone interact. energy: 1.627
local terms energy: -88.545594
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -307.386579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.386579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.386579 (E_RNA)
where:
Base-Base interactions energy: -220.952
where: short stacking energy: -93.269
Base-Backbone interact. energy: -0.003
local terms energy: -86.431524
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -24.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -302.178922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.178922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.178922 (E_RNA)
where:
Base-Base interactions energy: -213.756
where: short stacking energy: -89.249
Base-Backbone interact. energy: -0.109
local terms energy: -88.313304
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -26.120
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: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -300.971539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.971539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.971539 (E_RNA)
where:
Base-Base interactions energy: -215.313
where: short stacking energy: -90.513
Base-Backbone interact. energy: 0.036
local terms energy: -85.695246
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -229.143490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.143490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.143490 (E_RNA)
where:
Base-Base interactions energy: -152.711
where: short stacking energy: -63.949
Base-Backbone interact. energy: -0.052
local terms energy: -76.380914
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -219.137095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.137095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.137095 (E_RNA)
where:
Base-Base interactions energy: -157.618
where: short stacking energy: -72.405
Base-Backbone interact. energy: -0.707
local terms energy: -60.811832
where:
bonds (distance) C4'-P energy: -6.789
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -3.466
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: 8, replica: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -215.390619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.390619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.390619 (E_RNA)
where:
Base-Base interactions energy: -144.073
where: short stacking energy: -62.214
Base-Backbone interact. energy: -0.354
local terms energy: -70.963176
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -226.132324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.132324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.132324 (E_RNA)
where:
Base-Base interactions energy: -165.827
where: short stacking energy: -73.947
Base-Backbone interact. energy: -0.278
local terms energy: -60.027775
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -174.277116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.277116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.277116 (E_RNA)
where:
Base-Base interactions energy: -113.738
where: short stacking energy: -56.498
Base-Backbone interact. energy: -0.264
local terms energy: -60.275080
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -3.649
tors. eta vs tors. theta energy: -11.621
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: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -315.526462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.526462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.526462 (E_RNA)
where:
Base-Base interactions energy: -230.846
where: short stacking energy: -98.906
Base-Backbone interact. energy: -0.090
local terms energy: -84.590497
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -26.252
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: 2, replica: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -314.719329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.719329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.719329 (E_RNA)
where:
Base-Base interactions energy: -230.303
where: short stacking energy: -103.905
Base-Backbone interact. energy: -0.001
local terms energy: -84.416082
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -21.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -308.010776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.010776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.010776 (E_RNA)
where:
Base-Base interactions energy: -219.289
where: short stacking energy: -96.162
Base-Backbone interact. energy: -0.006
local terms energy: -88.715718
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -301.570945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.570945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.570945 (E_RNA)
where:
Base-Base interactions energy: -214.721
where: short stacking energy: -93.586
Base-Backbone interact. energy: 0.553
local terms energy: -87.402962
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -24.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -291.676715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.676715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.676715 (E_RNA)
where:
Base-Base interactions energy: -208.531
where: short stacking energy: -97.217
Base-Backbone interact. energy: -0.005
local terms energy: -83.140144
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -25.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -239.777994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.777994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.777994 (E_RNA)
where:
Base-Base interactions energy: -164.369
where: short stacking energy: -63.887
Base-Backbone interact. energy: -1.127
local terms energy: -74.282648
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -211.068234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.068234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.068234 (E_RNA)
where:
Base-Base interactions energy: -144.065
where: short stacking energy: -76.211
Base-Backbone interact. energy: 0.301
local terms energy: -67.304601
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -192.011470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.011470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.011470 (E_RNA)
where:
Base-Base interactions energy: -131.607
where: short stacking energy: -62.778
Base-Backbone interact. energy: -0.729
local terms energy: -59.675782
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -191.925413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.925413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.925413 (E_RNA)
where:
Base-Base interactions energy: -122.563
where: short stacking energy: -65.075
Base-Backbone interact. energy: -0.210
local terms energy: -69.152763
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -11.756
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: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -182.487899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.487899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.487899 (E_RNA)
where:
Base-Base interactions energy: -121.805
where: short stacking energy: -54.976
Base-Backbone interact. energy: 0.725
local terms energy: -61.407215
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -318.462726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.462726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.462726 (E_RNA)
where:
Base-Base interactions energy: -228.754
where: short stacking energy: -92.870
Base-Backbone interact. energy: -0.183
local terms energy: -89.525074
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -315.151328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.151328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.151328 (E_RNA)
where:
Base-Base interactions energy: -222.769
where: short stacking energy: -96.907
Base-Backbone interact. energy: -0.000
local terms energy: -92.381538
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -25.783
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: 409
Temperature: 1.000000
Total energy: -308.558169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.558169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.558169 (E_RNA)
where:
Base-Base interactions energy: -219.100
where: short stacking energy: -98.703
Base-Backbone interact. energy: -0.002
local terms energy: -89.455756
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -26.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -298.763935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.763935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.763935 (E_RNA)
where:
Base-Base interactions energy: -214.765
where: short stacking energy: -91.795
Base-Backbone interact. energy: -0.003
local terms energy: -83.995529
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -24.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -298.136772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.136772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.136772 (E_RNA)
where:
Base-Base interactions energy: -204.175
where: short stacking energy: -95.151
Base-Backbone interact. energy: -0.218
local terms energy: -93.743992
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -22.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -248.227130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.227130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.227130 (E_RNA)
where:
Base-Base interactions energy: -172.463
where: short stacking energy: -77.069
Base-Backbone interact. energy: -0.597
local terms energy: -75.167836
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -219.171985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.171985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.171985 (E_RNA)
where:
Base-Base interactions energy: -149.910
where: short stacking energy: -79.210
Base-Backbone interact. energy: -0.259
local terms energy: -69.003080
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -12.389
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: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -197.060613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.060613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.060613 (E_RNA)
where:
Base-Base interactions energy: -134.571
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.834
local terms energy: -61.655023
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -182.103491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.103491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.103491 (E_RNA)
where:
Base-Base interactions energy: -119.129
where: short stacking energy: -51.301
Base-Backbone interact. energy: 0.353
local terms energy: -63.326810
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -2.708
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -188.293635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.293635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.293635 (E_RNA)
where:
Base-Base interactions energy: -125.216
where: short stacking energy: -59.425
Base-Backbone interact. energy: -0.265
local terms energy: -62.812057
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -11.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -319.033539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.033539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.033539 (E_RNA)
where:
Base-Base interactions energy: -229.164
where: short stacking energy: -99.245
Base-Backbone interact. energy: -0.139
local terms energy: -89.730815
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -24.975
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: 410
Temperature: 0.950000
Total energy: -304.054199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.054199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.054199 (E_RNA)
where:
Base-Base interactions energy: -225.210
where: short stacking energy: -98.099
Base-Backbone interact. energy: -0.005
local terms energy: -78.839662
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -24.437
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: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -305.343144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.343144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.343144 (E_RNA)
where:
Base-Base interactions energy: -224.708
where: short stacking energy: -97.546
Base-Backbone interact. energy: -0.242
local terms energy: -80.393233
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -26.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -314.223488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.223488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.223488 (E_RNA)
where:
Base-Base interactions energy: -224.820
where: short stacking energy: -101.328
Base-Backbone interact. energy: -0.533
local terms energy: -88.869493
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -24.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -300.913800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.913800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.913800 (E_RNA)
where:
Base-Base interactions energy: -216.023
where: short stacking energy: -93.268
Base-Backbone interact. energy: -0.160
local terms energy: -84.730202
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -24.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -252.672989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.672989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.672989 (E_RNA)
where:
Base-Base interactions energy: -169.478
where: short stacking energy: -76.982
Base-Backbone interact. energy: -1.150
local terms energy: -82.045469
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -234.365674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.365674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.365674 (E_RNA)
where:
Base-Base interactions energy: -157.646
where: short stacking energy: -78.962
Base-Backbone interact. energy: -1.018
local terms energy: -75.701438
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -13.725
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: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -192.809065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.809065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.809065 (E_RNA)
where:
Base-Base interactions energy: -125.740
where: short stacking energy: -67.235
Base-Backbone interact. energy: -0.975
local terms energy: -66.094537
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -7.641
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -219.150158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.150158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.150158 (E_RNA)
where:
Base-Base interactions energy: -148.501
where: short stacking energy: -79.686
Base-Backbone interact. energy: -0.025
local terms energy: -70.623462
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -9.704
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: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -186.337785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.337785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.337785 (E_RNA)
where:
Base-Base interactions energy: -120.276
where: short stacking energy: -50.646
Base-Backbone interact. energy: -0.219
local terms energy: -65.843232
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -11.598
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: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -320.262277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.262277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.262277 (E_RNA)
where:
Base-Base interactions energy: -227.258
where: short stacking energy: -93.365
Base-Backbone interact. energy: -0.114
local terms energy: -92.891184
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -24.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -299.767308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.767308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.767308 (E_RNA)
where:
Base-Base interactions energy: -206.994
where: short stacking energy: -93.011
Base-Backbone interact. energy: -0.122
local terms energy: -92.651491
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -296.674852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.674852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.674852 (E_RNA)
where:
Base-Base interactions energy: -219.881
where: short stacking energy: -93.662
Base-Backbone interact. energy: -0.014
local terms energy: -76.779712
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: -24.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -297.656611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.656611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.656611 (E_RNA)
where:
Base-Base interactions energy: -212.462
where: short stacking energy: -95.290
Base-Backbone interact. energy: -0.196
local terms energy: -84.998492
where:
bonds (distance) C4'-P energy: -20.623
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -295.713843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.713843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.713843 (E_RNA)
where:
Base-Base interactions energy: -217.330
where: short stacking energy: -84.218
Base-Backbone interact. energy: -0.335
local terms energy: -78.049511
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -22.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -225.267070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.267070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.267070 (E_RNA)
where:
Base-Base interactions energy: -157.200
where: short stacking energy: -75.271
Base-Backbone interact. energy: -0.027
local terms energy: -68.040616
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -230.514714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.514714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.514714 (E_RNA)
where:
Base-Base interactions energy: -156.747
where: short stacking energy: -79.237
Base-Backbone interact. energy: -0.480
local terms energy: -73.287948
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -236.994142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.994142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.994142 (E_RNA)
where:
Base-Base interactions energy: -174.534
where: short stacking energy: -84.948
Base-Backbone interact. energy: 2.451
local terms energy: -64.911456
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -3.495
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -202.777348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.777348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.777348 (E_RNA)
where:
Base-Base interactions energy: -139.375
where: short stacking energy: -71.348
Base-Backbone interact. energy: 0.235
local terms energy: -63.637753
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -13.585
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: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -188.494486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.494486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.494486 (E_RNA)
where:
Base-Base interactions energy: -123.728
where: short stacking energy: -61.571
Base-Backbone interact. energy: -0.281
local terms energy: -64.485638
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -7.131
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -319.401658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.401658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.401658 (E_RNA)
where:
Base-Base interactions energy: -230.846
where: short stacking energy: -105.154
Base-Backbone interact. energy: -0.015
local terms energy: -88.540963
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -24.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -303.189391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.189391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.189391 (E_RNA)
where:
Base-Base interactions energy: -227.170
where: short stacking energy: -92.910
Base-Backbone interact. energy: -0.061
local terms energy: -75.958979
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -22.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -301.717915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.717915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.717915 (E_RNA)
where:
Base-Base interactions energy: -212.845
where: short stacking energy: -97.486
Base-Backbone interact. energy: -0.471
local terms energy: -88.401903
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -298.653181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.653181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.653181 (E_RNA)
where:
Base-Base interactions energy: -213.358
where: short stacking energy: -91.546
Base-Backbone interact. energy: 0.807
local terms energy: -86.102286
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -23.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -290.679513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.679513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.679513 (E_RNA)
where:
Base-Base interactions energy: -212.353
where: short stacking energy: -92.080
Base-Backbone interact. energy: -0.093
local terms energy: -78.233599
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -22.938
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: 2
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -226.444518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.444518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.444518 (E_RNA)
where:
Base-Base interactions energy: -165.247
where: short stacking energy: -79.441
Base-Backbone interact. energy: -0.003
local terms energy: -61.195010
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -1.650
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -202.562764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.562764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.562764 (E_RNA)
where:
Base-Base interactions energy: -131.542
where: short stacking energy: -67.122
Base-Backbone interact. energy: -0.142
local terms energy: -70.878659
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -11.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -223.253588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.253588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.253588 (E_RNA)
where:
Base-Base interactions energy: -150.354
where: short stacking energy: -69.536
Base-Backbone interact. energy: -0.664
local terms energy: -72.236234
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -7.444
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: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -189.481697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.481697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.481697 (E_RNA)
where:
Base-Base interactions energy: -132.155
where: short stacking energy: -61.068
Base-Backbone interact. energy: -0.047
local terms energy: -57.280217
where:
bonds (distance) C4'-P energy: -7.669
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -186.736970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.736970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.736970 (E_RNA)
where:
Base-Base interactions energy: -124.374
where: short stacking energy: -55.676
Base-Backbone interact. energy: 1.794
local terms energy: -64.156574
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -10.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -314.606064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.606064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.606064 (E_RNA)
where:
Base-Base interactions energy: -223.189
where: short stacking energy: -103.097
Base-Backbone interact. energy: -0.575
local terms energy: -90.841684
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -24.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -303.444796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.444796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.444796 (E_RNA)
where:
Base-Base interactions energy: -219.527
where: short stacking energy: -83.693
Base-Backbone interact. energy: -0.785
local terms energy: -83.133103
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -313.936873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.936873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.936873 (E_RNA)
where:
Base-Base interactions energy: -228.810
where: short stacking energy: -103.307
Base-Backbone interact. energy: -0.004
local terms energy: -85.123257
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -26.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -303.355052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.355052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.355052 (E_RNA)
where:
Base-Base interactions energy: -224.267
where: short stacking energy: -91.792
Base-Backbone interact. energy: -0.005
local terms energy: -79.082812
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -1.862
tors. eta vs tors. theta energy: -27.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -304.791016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.791016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.791016 (E_RNA)
where:
Base-Base interactions energy: -220.381
where: short stacking energy: -93.798
Base-Backbone interact. energy: -0.031
local terms energy: -84.379262
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -11.064
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: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -217.076074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.076074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.076074 (E_RNA)
where:
Base-Base interactions energy: -153.029
where: short stacking energy: -61.171
Base-Backbone interact. energy: -0.132
local terms energy: -63.915268
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -229.483628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.483628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.483628 (E_RNA)
where:
Base-Base interactions energy: -167.095
where: short stacking energy: -78.097
Base-Backbone interact. energy: -0.025
local terms energy: -62.363293
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -10.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -220.334104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.334104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.334104 (E_RNA)
where:
Base-Base interactions energy: -147.373
where: short stacking energy: -67.928
Base-Backbone interact. energy: -0.502
local terms energy: -72.459672
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -6.327
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: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -195.216060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.216060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.216060 (E_RNA)
where:
Base-Base interactions energy: -130.584
where: short stacking energy: -57.752
Base-Backbone interact. energy: 0.232
local terms energy: -64.864086
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -190.439487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.439487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.439487 (E_RNA)
where:
Base-Base interactions energy: -127.830
where: short stacking energy: -65.435
Base-Backbone interact. energy: 0.333
local terms energy: -62.942692
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -299.039289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.039289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.039289 (E_RNA)
where:
Base-Base interactions energy: -217.495
where: short stacking energy: -89.978
Base-Backbone interact. energy: -0.083
local terms energy: -81.461748
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -20.302
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: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -302.663211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.663211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.663211 (E_RNA)
where:
Base-Base interactions energy: -217.967
where: short stacking energy: -95.560
Base-Backbone interact. energy: -0.632
local terms energy: -84.064073
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -24.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -309.266142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.266142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.266142 (E_RNA)
where:
Base-Base interactions energy: -227.206
where: short stacking energy: -97.629
Base-Backbone interact. energy: -0.003
local terms energy: -82.057058
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -22.347
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: 4, replica: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -298.485851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.485851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.485851 (E_RNA)
where:
Base-Base interactions energy: -215.120
where: short stacking energy: -95.564
Base-Backbone interact. energy: -0.013
local terms energy: -83.352659
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -25.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -302.790303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.790303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.790303 (E_RNA)
where:
Base-Base interactions energy: -227.186
where: short stacking energy: -100.971
Base-Backbone interact. energy: -0.004
local terms energy: -75.600315
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -22.338
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: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -239.423476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.423476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.423476 (E_RNA)
where:
Base-Base interactions energy: -154.163
where: short stacking energy: -96.015
Base-Backbone interact. energy: 0.244
local terms energy: -85.504337
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -22.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -226.663348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.663348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.663348 (E_RNA)
where:
Base-Base interactions energy: -154.114
where: short stacking energy: -73.155
Base-Backbone interact. energy: -0.616
local terms energy: -71.933531
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -221.681421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.681421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.681421 (E_RNA)
where:
Base-Base interactions energy: -148.704
where: short stacking energy: -58.591
Base-Backbone interact. energy: -0.035
local terms energy: -72.942199
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -13.958
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: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -193.900797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.900797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.900797 (E_RNA)
where:
Base-Base interactions energy: -122.452
where: short stacking energy: -69.718
Base-Backbone interact. energy: 0.708
local terms energy: -72.157124
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -10.603
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: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -193.433068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.433068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.433068 (E_RNA)
where:
Base-Base interactions energy: -123.111
where: short stacking energy: -59.205
Base-Backbone interact. energy: -0.527
local terms energy: -69.795019
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -12.482
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: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -303.193673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.193673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.193673 (E_RNA)
where:
Base-Base interactions energy: -217.034
where: short stacking energy: -85.760
Base-Backbone interact. energy: -0.422
local terms energy: -85.737754
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -306.828789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.828789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.828789 (E_RNA)
where:
Base-Base interactions energy: -216.785
where: short stacking energy: -98.828
Base-Backbone interact. energy: -0.339
local terms energy: -89.704910
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -26.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -314.620001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.620001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.620001 (E_RNA)
where:
Base-Base interactions energy: -226.627
where: short stacking energy: -102.521
Base-Backbone interact. energy: -0.080
local terms energy: -87.912551
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -26.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -301.976814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.976814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.976814 (E_RNA)
where:
Base-Base interactions energy: -215.025
where: short stacking energy: -101.088
Base-Backbone interact. energy: -0.246
local terms energy: -86.706146
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -298.297002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.297002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.297002 (E_RNA)
where:
Base-Base interactions energy: -210.750
where: short stacking energy: -95.080
Base-Backbone interact. energy: -0.093
local terms energy: -87.454213
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -239.876962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.876962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.876962 (E_RNA)
where:
Base-Base interactions energy: -152.675
where: short stacking energy: -95.586
Base-Backbone interact. energy: -0.005
local terms energy: -87.197660
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -23.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -205.714147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.714147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.714147 (E_RNA)
where:
Base-Base interactions energy: -137.442
where: short stacking energy: -65.987
Base-Backbone interact. energy: -0.622
local terms energy: -67.649971
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -225.490347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.490347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.490347 (E_RNA)
where:
Base-Base interactions energy: -153.946
where: short stacking energy: -69.310
Base-Backbone interact. energy: -0.060
local terms energy: -71.483585
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -15.459
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: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -203.860900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.860900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.860900 (E_RNA)
where:
Base-Base interactions energy: -139.781
where: short stacking energy: -66.479
Base-Backbone interact. energy: 0.106
local terms energy: -64.186038
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -12.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -200.068943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.068943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.068943 (E_RNA)
where:
Base-Base interactions energy: -126.291
where: short stacking energy: -69.222
Base-Backbone interact. energy: -0.432
local terms energy: -73.346321
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -310.431823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.431823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.431823 (E_RNA)
where:
Base-Base interactions energy: -229.620
where: short stacking energy: -97.815
Base-Backbone interact. energy: -0.013
local terms energy: -80.799117
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -297.002272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.002272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.002272 (E_RNA)
where:
Base-Base interactions energy: -207.456
where: short stacking energy: -84.620
Base-Backbone interact. energy: 0.232
local terms energy: -89.778504
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -304.490223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.490223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.490223 (E_RNA)
where:
Base-Base interactions energy: -217.178
where: short stacking energy: -101.655
Base-Backbone interact. energy: -0.041
local terms energy: -87.270740
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -310.458635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.458635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.458635 (E_RNA)
where:
Base-Base interactions energy: -228.774
where: short stacking energy: -110.237
Base-Backbone interact. energy: 0.278
local terms energy: -81.961952
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -25.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -295.689035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.689035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.689035 (E_RNA)
where:
Base-Base interactions energy: -211.179
where: short stacking energy: -92.230
Base-Backbone interact. energy: -0.103
local terms energy: -84.406432
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -23.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -225.378919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.378919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.378919 (E_RNA)
where:
Base-Base interactions energy: -149.810
where: short stacking energy: -82.256
Base-Backbone interact. energy: -0.001
local terms energy: -75.567199
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -12.362
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: 7, replica: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -233.261046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.261046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.261046 (E_RNA)
where:
Base-Base interactions energy: -164.707
where: short stacking energy: -62.405
Base-Backbone interact. energy: -0.772
local terms energy: -67.781203
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -231.296821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.296821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.296821 (E_RNA)
where:
Base-Base interactions energy: -155.926
where: short stacking energy: -77.863
Base-Backbone interact. energy: -0.015
local terms energy: -75.355791
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -198.162887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.162887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.162887 (E_RNA)
where:
Base-Base interactions energy: -128.106
where: short stacking energy: -70.671
Base-Backbone interact. energy: -0.323
local terms energy: -69.733986
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -210.205853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.205853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.205853 (E_RNA)
where:
Base-Base interactions energy: -141.258
where: short stacking energy: -69.576
Base-Backbone interact. energy: 0.027
local terms energy: -68.974860
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -10.755
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: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -311.456678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.456678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.456678 (E_RNA)
where:
Base-Base interactions energy: -224.198
where: short stacking energy: -95.206
Base-Backbone interact. energy: 1.004
local terms energy: -88.262477
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -13.875
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: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -315.808424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.808424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.808424 (E_RNA)
where:
Base-Base interactions energy: -223.712
where: short stacking energy: -101.643
Base-Backbone interact. energy: -0.064
local terms energy: -92.031890
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -25.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -299.218786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.218786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.218786 (E_RNA)
where:
Base-Base interactions energy: -218.107
where: short stacking energy: -89.577
Base-Backbone interact. energy: 0.487
local terms energy: -81.598170
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -13.487
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: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -294.451349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.451349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.451349 (E_RNA)
where:
Base-Base interactions energy: -214.643
where: short stacking energy: -95.271
Base-Backbone interact. energy: -0.007
local terms energy: -79.801729
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -24.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -293.921617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.921617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.921617 (E_RNA)
where:
Base-Base interactions energy: -202.946
where: short stacking energy: -90.278
Base-Backbone interact. energy: -0.100
local terms energy: -90.876151
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -23.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -236.315011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.315011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.315011 (E_RNA)
where:
Base-Base interactions energy: -158.130
where: short stacking energy: -86.269
Base-Backbone interact. energy: -0.002
local terms energy: -78.182999
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -22.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -237.710788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.710788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.710788 (E_RNA)
where:
Base-Base interactions energy: -162.950
where: short stacking energy: -57.731
Base-Backbone interact. energy: -0.254
local terms energy: -74.505986
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -12.702
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: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -197.511176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.511176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.511176 (E_RNA)
where:
Base-Base interactions energy: -133.437
where: short stacking energy: -74.502
Base-Backbone interact. energy: -0.002
local terms energy: -64.072261
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -11.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -210.143652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.143652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.143652 (E_RNA)
where:
Base-Base interactions energy: -143.667
where: short stacking energy: -75.588
Base-Backbone interact. energy: -0.140
local terms energy: -66.336950
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -123.772603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.772603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.772603 (E_RNA)
where:
Base-Base interactions energy: -76.431
where: short stacking energy: -36.118
Base-Backbone interact. energy: 0.136
local terms energy: -47.477925
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -4.014
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: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -317.712325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.712325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.712325 (E_RNA)
where:
Base-Base interactions energy: -231.362
where: short stacking energy: -95.858
Base-Backbone interact. energy: 0.365
local terms energy: -86.715263
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -25.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -304.639021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.639021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.639021 (E_RNA)
where:
Base-Base interactions energy: -221.016
where: short stacking energy: -89.914
Base-Backbone interact. energy: -0.156
local terms energy: -83.466421
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -307.620159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.620159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.620159 (E_RNA)
where:
Base-Base interactions energy: -220.235
where: short stacking energy: -94.020
Base-Backbone interact. energy: -0.025
local terms energy: -87.360601
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -283.939282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.939282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.939282 (E_RNA)
where:
Base-Base interactions energy: -205.847
where: short stacking energy: -86.666
Base-Backbone interact. energy: -0.198
local terms energy: -77.893578
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -21.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -302.444283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.444283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.444283 (E_RNA)
where:
Base-Base interactions energy: -218.882
where: short stacking energy: -101.830
Base-Backbone interact. energy: -0.008
local terms energy: -83.555045
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -22.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -236.139339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.139339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.139339 (E_RNA)
where:
Base-Base interactions energy: -165.500
where: short stacking energy: -78.343
Base-Backbone interact. energy: -0.125
local terms energy: -70.514317
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -200.948999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.948999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.948999 (E_RNA)
where:
Base-Base interactions energy: -125.661
where: short stacking energy: -70.277
Base-Backbone interact. energy: -0.113
local terms energy: -75.174205
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -228.997563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.997563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.997563 (E_RNA)
where:
Base-Base interactions energy: -155.695
where: short stacking energy: -64.631
Base-Backbone interact. energy: -0.335
local terms energy: -72.967218
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -11.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -178.744016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.744016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.744016 (E_RNA)
where:
Base-Base interactions energy: -109.891
where: short stacking energy: -65.409
Base-Backbone interact. energy: -0.234
local terms energy: -68.619065
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -11.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -188.832600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.832600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.832600 (E_RNA)
where:
Base-Base interactions energy: -118.215
where: short stacking energy: -68.777
Base-Backbone interact. energy: -0.230
local terms energy: -70.388339
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -10.717
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: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -317.314955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.314955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.314955 (E_RNA)
where:
Base-Base interactions energy: -222.902
where: short stacking energy: -96.846
Base-Backbone interact. energy: -0.727
local terms energy: -93.685909
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -25.726
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: 3
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -325.467987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.467987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.467987 (E_RNA)
where:
Base-Base interactions energy: -233.744
where: short stacking energy: -103.232
Base-Backbone interact. energy: -0.100
local terms energy: -91.624819
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -21.279
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -26.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -305.452267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.452267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.452267 (E_RNA)
where:
Base-Base interactions energy: -221.435
where: short stacking energy: -93.127
Base-Backbone interact. energy: 0.966
local terms energy: -84.983364
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -22.531
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: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -304.858637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.858637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.858637 (E_RNA)
where:
Base-Base interactions energy: -218.469
where: short stacking energy: -107.233
Base-Backbone interact. energy: -0.324
local terms energy: -86.066157
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -23.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -284.841677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.841677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.841677 (E_RNA)
where:
Base-Base interactions energy: -219.288
where: short stacking energy: -87.951
Base-Backbone interact. energy: 0.367
local terms energy: -65.920364
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -19.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -240.242717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.242717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.242717 (E_RNA)
where:
Base-Base interactions energy: -161.605
where: short stacking energy: -69.576
Base-Backbone interact. energy: -0.370
local terms energy: -78.267714
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -223.522346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.522346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.522346 (E_RNA)
where:
Base-Base interactions energy: -155.290
where: short stacking energy: -78.517
Base-Backbone interact. energy: -0.958
local terms energy: -67.274838
where:
bonds (distance) C4'-P energy: -8.237
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -234.142507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.142507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.142507 (E_RNA)
where:
Base-Base interactions energy: -160.275
where: short stacking energy: -67.846
Base-Backbone interact. energy: -0.163
local terms energy: -73.704206
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -185.500256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.500256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.500256 (E_RNA)
where:
Base-Base interactions energy: -116.546
where: short stacking energy: -57.797
Base-Backbone interact. energy: -1.438
local terms energy: -67.516652
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -184.265899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.265899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.265899 (E_RNA)
where:
Base-Base interactions energy: -121.914
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.013
local terms energy: -62.338074
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -15.093
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: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -323.760224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.760224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.760224 (E_RNA)
where:
Base-Base interactions energy: -231.714
where: short stacking energy: -107.131
Base-Backbone interact. energy: -0.290
local terms energy: -91.756421
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -26.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -308.061564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.061564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.061564 (E_RNA)
where:
Base-Base interactions energy: -217.830
where: short stacking energy: -98.544
Base-Backbone interact. energy: -0.070
local terms energy: -90.161761
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -23.204
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: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -307.638267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.638267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.638267 (E_RNA)
where:
Base-Base interactions energy: -230.331
where: short stacking energy: -101.578
Base-Backbone interact. energy: 0.532
local terms energy: -77.838695
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -22.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -299.995381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.995381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.995381 (E_RNA)
where:
Base-Base interactions energy: -210.790
where: short stacking energy: -98.202
Base-Backbone interact. energy: -0.222
local terms energy: -88.983728
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -275.650096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.650096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.650096 (E_RNA)
where:
Base-Base interactions energy: -210.793
where: short stacking energy: -83.234
Base-Backbone interact. energy: 2.427
local terms energy: -67.284272
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -3.799
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -240.962514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.962514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.962514 (E_RNA)
where:
Base-Base interactions energy: -161.113
where: short stacking energy: -80.431
Base-Backbone interact. energy: -0.021
local terms energy: -79.828318
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -220.113668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.113668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.113668 (E_RNA)
where:
Base-Base interactions energy: -156.320
where: short stacking energy: -64.098
Base-Backbone interact. energy: -0.365
local terms energy: -63.429048
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -9.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -239.407631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.407631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.407631 (E_RNA)
where:
Base-Base interactions energy: -162.600
where: short stacking energy: -71.521
Base-Backbone interact. energy: -1.637
local terms energy: -75.170203
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -189.843917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.843917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.843917 (E_RNA)
where:
Base-Base interactions energy: -129.592
where: short stacking energy: -63.963
Base-Backbone interact. energy: -0.492
local terms energy: -59.759682
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -177.853115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.853115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.853115 (E_RNA)
where:
Base-Base interactions energy: -107.393
where: short stacking energy: -63.296
Base-Backbone interact. energy: -1.195
local terms energy: -69.264338
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -330.021824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.021824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.021824 (E_RNA)
where:
Base-Base interactions energy: -243.075
where: short stacking energy: -108.515
Base-Backbone interact. energy: -0.001
local terms energy: -86.945083
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -26.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -313.294917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.294917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.294917 (E_RNA)
where:
Base-Base interactions energy: -230.891
where: short stacking energy: -101.343
Base-Backbone interact. energy: -0.302
local terms energy: -82.101370
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -21.179
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: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -302.088530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.088530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.088530 (E_RNA)
where:
Base-Base interactions energy: -216.651
where: short stacking energy: -97.065
Base-Backbone interact. energy: -0.001
local terms energy: -85.436891
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -26.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -292.964288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.964288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.964288 (E_RNA)
where:
Base-Base interactions energy: -211.583
where: short stacking energy: -88.808
Base-Backbone interact. energy: -0.638
local terms energy: -80.743842
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -301.371757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.371757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.371757 (E_RNA)
where:
Base-Base interactions energy: -212.381
where: short stacking energy: -97.139
Base-Backbone interact. energy: -0.094
local terms energy: -88.896725
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -23.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -234.222843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.222843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.222843 (E_RNA)
where:
Base-Base interactions energy: -155.202
where: short stacking energy: -69.745
Base-Backbone interact. energy: -1.369
local terms energy: -77.651964
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -207.883620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.883620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.883620 (E_RNA)
where:
Base-Base interactions energy: -146.324
where: short stacking energy: -62.555
Base-Backbone interact. energy: 1.521
local terms energy: -63.080899
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -201.075473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.075473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.075473 (E_RNA)
where:
Base-Base interactions energy: -128.345
where: short stacking energy: -70.843
Base-Backbone interact. energy: -0.014
local terms energy: -72.716466
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -218.484839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.484839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.484839 (E_RNA)
where:
Base-Base interactions energy: -148.993
where: short stacking energy: -65.462
Base-Backbone interact. energy: -0.048
local terms energy: -69.444303
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -4.752
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: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -171.113340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.113340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.113340 (E_RNA)
where:
Base-Base interactions energy: -100.265
where: short stacking energy: -56.178
Base-Backbone interact. energy: -0.003
local terms energy: -70.845357
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -327.391675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.391675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.391675 (E_RNA)
where:
Base-Base interactions energy: -236.855
where: short stacking energy: -107.575
Base-Backbone interact. energy: -0.019
local terms energy: -90.517555
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -24.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -312.079714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.079714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.079714 (E_RNA)
where:
Base-Base interactions energy: -225.574
where: short stacking energy: -101.807
Base-Backbone interact. energy: -0.003
local terms energy: -86.502922
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -14.718
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: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -301.793693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.793693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.793693 (E_RNA)
where:
Base-Base interactions energy: -210.009
where: short stacking energy: -99.426
Base-Backbone interact. energy: -0.045
local terms energy: -91.740170
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -24.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -289.842168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.842168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.842168 (E_RNA)
where:
Base-Base interactions energy: -216.916
where: short stacking energy: -93.537
Base-Backbone interact. energy: -0.110
local terms energy: -72.815934
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -304.547714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.547714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.547714 (E_RNA)
where:
Base-Base interactions energy: -218.133
where: short stacking energy: -93.307
Base-Backbone interact. energy: -0.049
local terms energy: -86.365717
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -247.333585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.333585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.333585 (E_RNA)
where:
Base-Base interactions energy: -165.374
where: short stacking energy: -90.035
Base-Backbone interact. energy: -0.032
local terms energy: -81.927587
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -212.670216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.670216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.670216 (E_RNA)
where:
Base-Base interactions energy: -141.225
where: short stacking energy: -68.900
Base-Backbone interact. energy: -0.262
local terms energy: -71.183440
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -220.002264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.002264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.002264 (E_RNA)
where:
Base-Base interactions energy: -152.219
where: short stacking energy: -62.068
Base-Backbone interact. energy: 0.662
local terms energy: -68.446150
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -228.360083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.360083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.360083 (E_RNA)
where:
Base-Base interactions energy: -153.223
where: short stacking energy: -71.821
Base-Backbone interact. energy: 1.135
local terms energy: -76.272117
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -154.668288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.668288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.668288 (E_RNA)
where:
Base-Base interactions energy: -98.377
where: short stacking energy: -54.076
Base-Backbone interact. energy: -0.162
local terms energy: -56.128652
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -8.152
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: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -322.817440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.817440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.817440 (E_RNA)
where:
Base-Base interactions energy: -236.948
where: short stacking energy: -97.406
Base-Backbone interact. energy: -0.011
local terms energy: -85.858795
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -24.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -321.809112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.809112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.809112 (E_RNA)
where:
Base-Base interactions energy: -231.112
where: short stacking energy: -101.584
Base-Backbone interact. energy: -0.092
local terms energy: -90.605929
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -24.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -300.661076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.661076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.661076 (E_RNA)
where:
Base-Base interactions energy: -217.315
where: short stacking energy: -91.473
Base-Backbone interact. energy: -0.289
local terms energy: -83.057299
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -25.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -310.825317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.825317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.825317 (E_RNA)
where:
Base-Base interactions energy: -224.706
where: short stacking energy: -98.651
Base-Backbone interact. energy: -0.140
local terms energy: -85.979694
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -22.428
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: 5, replica: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -278.781812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.781812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.781812 (E_RNA)
where:
Base-Base interactions energy: -199.489
where: short stacking energy: -90.278
Base-Backbone interact. energy: -0.165
local terms energy: -79.128454
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -221.933467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.933467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.933467 (E_RNA)
where:
Base-Base interactions energy: -151.590
where: short stacking energy: -80.313
Base-Backbone interact. energy: -1.385
local terms energy: -68.958684
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -13.550
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: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -251.648470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.648470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.648470 (E_RNA)
where:
Base-Base interactions energy: -169.050
where: short stacking energy: -80.516
Base-Backbone interact. energy: -0.094
local terms energy: -82.504470
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -21.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -234.675812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.675812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.675812 (E_RNA)
where:
Base-Base interactions energy: -166.498
where: short stacking energy: -82.117
Base-Backbone interact. energy: -0.215
local terms energy: -67.963179
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -209.644819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.644819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.644819 (E_RNA)
where:
Base-Base interactions energy: -140.201
where: short stacking energy: -77.284
Base-Backbone interact. energy: -0.108
local terms energy: -69.336021
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -14.955
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: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -156.356059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.356059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.356059 (E_RNA)
where:
Base-Base interactions energy: -102.144
where: short stacking energy: -52.797
Base-Backbone interact. energy: -0.152
local terms energy: -54.059339
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -319.478795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.478795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.478795 (E_RNA)
where:
Base-Base interactions energy: -237.121
where: short stacking energy: -99.711
Base-Backbone interact. energy: -0.010
local terms energy: -82.347859
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -26.105
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: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -321.925560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.925560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.925560 (E_RNA)
where:
Base-Base interactions energy: -234.077
where: short stacking energy: -101.622
Base-Backbone interact. energy: -0.007
local terms energy: -87.841503
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -25.217
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: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -312.384656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.384656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.384656 (E_RNA)
where:
Base-Base interactions energy: -225.257
where: short stacking energy: -99.135
Base-Backbone interact. energy: -0.065
local terms energy: -87.062184
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -300.364952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.364952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.364952 (E_RNA)
where:
Base-Base interactions energy: -207.126
where: short stacking energy: -97.608
Base-Backbone interact. energy: 0.042
local terms energy: -93.280266
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -289.508446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.508446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.508446 (E_RNA)
where:
Base-Base interactions energy: -199.415
where: short stacking energy: -99.679
Base-Backbone interact. energy: -0.279
local terms energy: -89.814581
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -23.920
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: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -215.566445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.566445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.566445 (E_RNA)
where:
Base-Base interactions energy: -146.283
where: short stacking energy: -74.223
Base-Backbone interact. energy: -0.276
local terms energy: -69.007597
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -230.613154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.613154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.613154 (E_RNA)
where:
Base-Base interactions energy: -164.032
where: short stacking energy: -81.881
Base-Backbone interact. energy: -0.249
local terms energy: -66.331907
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -6.816
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -247.443620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.443620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.443620 (E_RNA)
where:
Base-Base interactions energy: -168.587
where: short stacking energy: -92.340
Base-Backbone interact. energy: -0.684
local terms energy: -78.172452
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -188.322558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.322558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.322558 (E_RNA)
where:
Base-Base interactions energy: -121.300
where: short stacking energy: -68.163
Base-Backbone interact. energy: 0.036
local terms energy: -67.059012
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -174.963915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.963915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.963915 (E_RNA)
where:
Base-Base interactions energy: -114.340
where: short stacking energy: -62.357
Base-Backbone interact. energy: 3.943
local terms energy: -64.566317
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -317.625284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.625284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.625284 (E_RNA)
where:
Base-Base interactions energy: -222.327
where: short stacking energy: -106.113
Base-Backbone interact. energy: -0.003
local terms energy: -95.295864
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -27.105
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: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -308.670031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.670031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.670031 (E_RNA)
where:
Base-Base interactions energy: -231.463
where: short stacking energy: -105.542
Base-Backbone interact. energy: -0.002
local terms energy: -77.204998
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -24.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -307.690530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.690530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.690530 (E_RNA)
where:
Base-Base interactions energy: -226.609
where: short stacking energy: -101.548
Base-Backbone interact. energy: -0.108
local terms energy: -80.973783
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -24.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -296.472953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.472953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.472953 (E_RNA)
where:
Base-Base interactions energy: -213.398
where: short stacking energy: -90.197
Base-Backbone interact. energy: -0.148
local terms energy: -82.926381
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -21.334
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: 425
Temperature: 1.100000
Total energy: -282.128823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.128823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.128823 (E_RNA)
where:
Base-Base interactions energy: -196.549
where: short stacking energy: -88.787
Base-Backbone interact. energy: -0.083
local terms energy: -85.496815
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -23.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -242.795214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.795214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.795214 (E_RNA)
where:
Base-Base interactions energy: -164.505
where: short stacking energy: -78.285
Base-Backbone interact. energy: -0.561
local terms energy: -77.729337
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -18.923
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: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -225.444263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.444263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.444263 (E_RNA)
where:
Base-Base interactions energy: -152.500
where: short stacking energy: -72.793
Base-Backbone interact. energy: -0.145
local terms energy: -72.799222
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -14.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -231.215546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.215546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.215546 (E_RNA)
where:
Base-Base interactions energy: -156.332
where: short stacking energy: -86.870
Base-Backbone interact. energy: -0.093
local terms energy: -74.790694
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -21.008
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: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -194.265945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.265945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.265945 (E_RNA)
where:
Base-Base interactions energy: -120.013
where: short stacking energy: -54.431
Base-Backbone interact. energy: -0.160
local terms energy: -74.092941
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -12.531
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: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -153.758399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.758399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.758399 (E_RNA)
where:
Base-Base interactions energy: -101.074
where: short stacking energy: -53.498
Base-Backbone interact. energy: -0.408
local terms energy: -52.276402
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -6.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -314.552970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.552970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.552970 (E_RNA)
where:
Base-Base interactions energy: -224.162
where: short stacking energy: -107.237
Base-Backbone interact. energy: -0.006
local terms energy: -90.385202
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -25.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -317.105856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.105856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.105856 (E_RNA)
where:
Base-Base interactions energy: -229.310
where: short stacking energy: -98.563
Base-Backbone interact. energy: -0.001
local terms energy: -87.794521
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -25.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -305.830715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.830715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.830715 (E_RNA)
where:
Base-Base interactions energy: -223.504
where: short stacking energy: -98.323
Base-Backbone interact. energy: -0.823
local terms energy: -81.504504
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -23.017
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: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -307.966564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.966564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.966564 (E_RNA)
where:
Base-Base interactions energy: -226.920
where: short stacking energy: -109.127
Base-Backbone interact. energy: -0.003
local terms energy: -81.043604
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -22.428
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: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -289.367239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.367239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.367239 (E_RNA)
where:
Base-Base interactions energy: -211.682
where: short stacking energy: -87.693
Base-Backbone interact. energy: -0.009
local terms energy: -77.676701
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -232.377469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.377469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.377469 (E_RNA)
where:
Base-Base interactions energy: -160.512
where: short stacking energy: -87.697
Base-Backbone interact. energy: 0.922
local terms energy: -72.787946
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -17.384
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -7.468
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: 7, replica: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -214.452958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.452958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.452958 (E_RNA)
where:
Base-Base interactions energy: -146.143
where: short stacking energy: -67.974
Base-Backbone interact. energy: -1.073
local terms energy: -67.237466
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -6.573
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -208.315591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.315591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.315591 (E_RNA)
where:
Base-Base interactions energy: -150.132
where: short stacking energy: -68.962
Base-Backbone interact. energy: -0.297
local terms energy: -57.886613
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -12.611
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: 2
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -199.608449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.608449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.608449 (E_RNA)
where:
Base-Base interactions energy: -125.471
where: short stacking energy: -70.401
Base-Backbone interact. energy: -0.289
local terms energy: -73.848218
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -150.341982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.341982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.341982 (E_RNA)
where:
Base-Base interactions energy: -87.440
where: short stacking energy: -44.049
Base-Backbone interact. energy: -0.984
local terms energy: -61.918339
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -10.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -321.201817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.201817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.201817 (E_RNA)
where:
Base-Base interactions energy: -230.421
where: short stacking energy: -101.849
Base-Backbone interact. energy: 0.058
local terms energy: -90.838834
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -23.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -311.667081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.667081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.667081 (E_RNA)
where:
Base-Base interactions energy: -226.329
where: short stacking energy: -91.373
Base-Backbone interact. energy: -0.007
local terms energy: -85.330645
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -318.258532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.258532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.258532 (E_RNA)
where:
Base-Base interactions energy: -228.159
where: short stacking energy: -97.583
Base-Backbone interact. energy: -0.034
local terms energy: -90.065174
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -25.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -304.969357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.969357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.969357 (E_RNA)
where:
Base-Base interactions energy: -223.701
where: short stacking energy: -102.477
Base-Backbone interact. energy: -0.010
local terms energy: -81.258785
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -23.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -291.475048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.475048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.475048 (E_RNA)
where:
Base-Base interactions energy: -208.684
where: short stacking energy: -95.138
Base-Backbone interact. energy: -0.004
local terms energy: -82.786632
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -21.203
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: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -230.564938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.564938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.564938 (E_RNA)
where:
Base-Base interactions energy: -162.686
where: short stacking energy: -86.923
Base-Backbone interact. energy: -0.014
local terms energy: -67.865569
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -245.770882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.770882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.770882 (E_RNA)
where:
Base-Base interactions energy: -173.684
where: short stacking energy: -73.109
Base-Backbone interact. energy: -1.839
local terms energy: -70.247511
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -185.212500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.212500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.212500 (E_RNA)
where:
Base-Base interactions energy: -124.317
where: short stacking energy: -61.768
Base-Backbone interact. energy: -0.046
local terms energy: -60.849297
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -198.587847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.587847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.587847 (E_RNA)
where:
Base-Base interactions energy: -132.202
where: short stacking energy: -74.876
Base-Backbone interact. energy: -0.057
local terms energy: -66.329087
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -15.903
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: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -164.617394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.617394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.617394 (E_RNA)
where:
Base-Base interactions energy: -104.832
where: short stacking energy: -52.260
Base-Backbone interact. energy: -0.047
local terms energy: -59.738475
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -319.539160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.539160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.539160 (E_RNA)
where:
Base-Base interactions energy: -227.196
where: short stacking energy: -103.290
Base-Backbone interact. energy: -0.023
local terms energy: -92.320059
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -28.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -307.382505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.382505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.382505 (E_RNA)
where:
Base-Base interactions energy: -225.915
where: short stacking energy: -97.080
Base-Backbone interact. energy: -0.010
local terms energy: -81.457470
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -308.213010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.213010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.213010 (E_RNA)
where:
Base-Base interactions energy: -221.072
where: short stacking energy: -107.423
Base-Backbone interact. energy: -0.830
local terms energy: -86.310727
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -22.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -299.082852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.082852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.082852 (E_RNA)
where:
Base-Base interactions energy: -217.732
where: short stacking energy: -95.070
Base-Backbone interact. energy: -0.006
local terms energy: -81.345151
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -294.792020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.792020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.792020 (E_RNA)
where:
Base-Base interactions energy: -211.668
where: short stacking energy: -98.567
Base-Backbone interact. energy: -0.010
local terms energy: -83.113827
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -23.817
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: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -221.681563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.681563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.681563 (E_RNA)
where:
Base-Base interactions energy: -142.117
where: short stacking energy: -72.680
Base-Backbone interact. energy: -1.343
local terms energy: -78.221688
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -241.477108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.477108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.477108 (E_RNA)
where:
Base-Base interactions energy: -170.617
where: short stacking energy: -73.398
Base-Backbone interact. energy: -1.812
local terms energy: -69.048496
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -193.548913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.548913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.548913 (E_RNA)
where:
Base-Base interactions energy: -131.763
where: short stacking energy: -63.211
Base-Backbone interact. energy: -0.076
local terms energy: -61.709799
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -168.216942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.216942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.216942 (E_RNA)
where:
Base-Base interactions energy: -102.928
where: short stacking energy: -49.958
Base-Backbone interact. energy: -0.150
local terms energy: -65.138795
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -12.539
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: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -186.969273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.969273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.969273 (E_RNA)
where:
Base-Base interactions energy: -134.346
where: short stacking energy: -61.151
Base-Backbone interact. energy: -0.080
local terms energy: -52.542583
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -4.001
tors. eta vs tors. theta energy: -8.310
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: 429
Temperature: 0.900000
Total energy: -318.215838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.215838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.215838 (E_RNA)
where:
Base-Base interactions energy: -223.954
where: short stacking energy: -108.655
Base-Backbone interact. energy: -0.169
local terms energy: -94.093608
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -25.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -311.905472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.905472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.905472 (E_RNA)
where:
Base-Base interactions energy: -225.122
where: short stacking energy: -100.608
Base-Backbone interact. energy: -0.310
local terms energy: -86.473733
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -312.127272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.127272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.127272 (E_RNA)
where:
Base-Base interactions energy: -219.562
where: short stacking energy: -97.240
Base-Backbone interact. energy: -0.008
local terms energy: -92.556541
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -296.928780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.928780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.928780 (E_RNA)
where:
Base-Base interactions energy: -214.408
where: short stacking energy: -100.021
Base-Backbone interact. energy: -0.203
local terms energy: -82.317740
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -22.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -299.143678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.143678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.143678 (E_RNA)
where:
Base-Base interactions energy: -210.998
where: short stacking energy: -98.073
Base-Backbone interact. energy: -0.002
local terms energy: -88.143913
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -24.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -216.921914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.921914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.921914 (E_RNA)
where:
Base-Base interactions energy: -146.168
where: short stacking energy: -75.123
Base-Backbone interact. energy: -0.105
local terms energy: -70.648857
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -209.750660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.750660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.750660 (E_RNA)
where:
Base-Base interactions energy: -143.022
where: short stacking energy: -66.106
Base-Backbone interact. energy: 1.006
local terms energy: -67.733715
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -9.298
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -191.481960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.481960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.481960 (E_RNA)
where:
Base-Base interactions energy: -133.645
where: short stacking energy: -63.592
Base-Backbone interact. energy: -0.124
local terms energy: -57.712819
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -10.413
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: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -205.974410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.974410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.974410 (E_RNA)
where:
Base-Base interactions energy: -147.152
where: short stacking energy: -64.752
Base-Backbone interact. energy: -0.928
local terms energy: -57.894093
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -14.634
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: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -215.472541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.472541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.472541 (E_RNA)
where:
Base-Base interactions energy: -147.590
where: short stacking energy: -74.265
Base-Backbone interact. energy: -0.647
local terms energy: -67.235235
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -9.984
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -14.237
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: 430
Temperature: 0.900000
Total energy: -317.981439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.981439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.981439 (E_RNA)
where:
Base-Base interactions energy: -227.825
where: short stacking energy: -96.639
Base-Backbone interact. energy: -0.000
local terms energy: -90.155968
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -27.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -317.973262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.973262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.973262 (E_RNA)
where:
Base-Base interactions energy: -224.122
where: short stacking energy: -104.154
Base-Backbone interact. energy: -0.190
local terms energy: -93.661167
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -26.598
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: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -293.497060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.497060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.497060 (E_RNA)
where:
Base-Base interactions energy: -200.350
where: short stacking energy: -101.771
Base-Backbone interact. energy: -0.733
local terms energy: -92.414112
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -25.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -304.161670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.161670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.161670 (E_RNA)
where:
Base-Base interactions energy: -217.599
where: short stacking energy: -103.297
Base-Backbone interact. energy: -0.000
local terms energy: -86.561786
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -25.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -304.652966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.652966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.652966 (E_RNA)
where:
Base-Base interactions energy: -216.299
where: short stacking energy: -102.293
Base-Backbone interact. energy: -0.001
local terms energy: -88.352907
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -22.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -234.198129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.198129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.198129 (E_RNA)
where:
Base-Base interactions energy: -158.465
where: short stacking energy: -76.062
Base-Backbone interact. energy: -0.056
local terms energy: -75.676656
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -193.274321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.274321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.274321 (E_RNA)
where:
Base-Base interactions energy: -128.029
where: short stacking energy: -54.236
Base-Backbone interact. energy: -0.526
local terms energy: -64.718732
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -200.381716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.381716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.381716 (E_RNA)
where:
Base-Base interactions energy: -136.041
where: short stacking energy: -60.535
Base-Backbone interact. energy: 2.822
local terms energy: -67.162229
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -189.855452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.855452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.855452 (E_RNA)
where:
Base-Base interactions energy: -128.859
where: short stacking energy: -67.782
Base-Backbone interact. energy: -0.082
local terms energy: -60.914999
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -4.638
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -211.881083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.881083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.881083 (E_RNA)
where:
Base-Base interactions energy: -138.955
where: short stacking energy: -69.874
Base-Backbone interact. energy: 0.154
local terms energy: -73.080082
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -9.186
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: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -319.005005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.005005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.005005 (E_RNA)
where:
Base-Base interactions energy: -227.666
where: short stacking energy: -96.778
Base-Backbone interact. energy: -0.084
local terms energy: -91.255246
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -24.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -295.615728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.615728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.615728 (E_RNA)
where:
Base-Base interactions energy: -202.427
where: short stacking energy: -110.905
Base-Backbone interact. energy: -0.066
local terms energy: -93.123378
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -26.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -302.505405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.505405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.505405 (E_RNA)
where:
Base-Base interactions energy: -214.709
where: short stacking energy: -104.364
Base-Backbone interact. energy: -0.004
local terms energy: -87.792155
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -25.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -307.635994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.635994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.635994 (E_RNA)
where:
Base-Base interactions energy: -222.310
where: short stacking energy: -93.246
Base-Backbone interact. energy: -0.001
local terms energy: -85.324892
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -298.057250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.057250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.057250 (E_RNA)
where:
Base-Base interactions energy: -219.094
where: short stacking energy: -97.599
Base-Backbone interact. energy: -0.002
local terms energy: -78.960903
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -21.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -236.196000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.196000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.196000 (E_RNA)
where:
Base-Base interactions energy: -164.449
where: short stacking energy: -69.959
Base-Backbone interact. energy: -0.104
local terms energy: -71.643180
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -214.295656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.295656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.295656 (E_RNA)
where:
Base-Base interactions energy: -140.288
where: short stacking energy: -78.711
Base-Backbone interact. energy: -0.298
local terms energy: -73.709512
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -186.335309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.335309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.335309 (E_RNA)
where:
Base-Base interactions energy: -122.949
where: short stacking energy: -63.973
Base-Backbone interact. energy: -0.102
local terms energy: -63.285105
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -10.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -194.414452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.414452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.414452 (E_RNA)
where:
Base-Base interactions energy: -128.455
where: short stacking energy: -71.905
Base-Backbone interact. energy: -0.099
local terms energy: -65.860497
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -209.433740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.433740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.433740 (E_RNA)
where:
Base-Base interactions energy: -139.174
where: short stacking energy: -64.448
Base-Backbone interact. energy: -0.276
local terms energy: -69.983185
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -323.348693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.348693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.348693 (E_RNA)
where:
Base-Base interactions energy: -237.942
where: short stacking energy: -100.845
Base-Backbone interact. energy: -0.082
local terms energy: -85.325345
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -24.178
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: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -303.652361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.652361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.652361 (E_RNA)
where:
Base-Base interactions energy: -212.125
where: short stacking energy: -110.515
Base-Backbone interact. energy: -0.030
local terms energy: -91.497018
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -26.717
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: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -317.667512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.667512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.667512 (E_RNA)
where:
Base-Base interactions energy: -234.301
where: short stacking energy: -111.999
Base-Backbone interact. energy: -0.050
local terms energy: -83.316956
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -25.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -307.698135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.698135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.698135 (E_RNA)
where:
Base-Base interactions energy: -223.822
where: short stacking energy: -97.852
Base-Backbone interact. energy: -0.008
local terms energy: -83.867886
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: -23.199
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: 432
Temperature: 1.100000
Total energy: -307.695457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.695457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.695457 (E_RNA)
where:
Base-Base interactions energy: -230.503
where: short stacking energy: -105.134
Base-Backbone interact. energy: -0.024
local terms energy: -77.167904
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -240.775826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.775826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.775826 (E_RNA)
where:
Base-Base interactions energy: -169.139
where: short stacking energy: -78.979
Base-Backbone interact. energy: -0.069
local terms energy: -71.568013
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -218.723459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.723459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.723459 (E_RNA)
where:
Base-Base interactions energy: -151.347
where: short stacking energy: -67.192
Base-Backbone interact. energy: -0.119
local terms energy: -67.257736
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -15.157
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: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -216.674933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.674933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.674933 (E_RNA)
where:
Base-Base interactions energy: -147.132
where: short stacking energy: -76.171
Base-Backbone interact. energy: -0.363
local terms energy: -69.179969
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -196.327273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.327273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.327273 (E_RNA)
where:
Base-Base interactions energy: -142.810
where: short stacking energy: -63.901
Base-Backbone interact. energy: -1.023
local terms energy: -52.494755
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -2.628
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -212.098710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.098710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.098710 (E_RNA)
where:
Base-Base interactions energy: -136.340
where: short stacking energy: -75.210
Base-Backbone interact. energy: -0.336
local terms energy: -75.422386
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -11.528
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: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -314.262332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.262332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.262332 (E_RNA)
where:
Base-Base interactions energy: -228.995
where: short stacking energy: -104.087
Base-Backbone interact. energy: -0.004
local terms energy: -85.263655
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -24.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -314.223631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.223631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.223631 (E_RNA)
where:
Base-Base interactions energy: -229.687
where: short stacking energy: -95.159
Base-Backbone interact. energy: -0.600
local terms energy: -83.936237
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -22.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -296.354723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.354723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.354723 (E_RNA)
where:
Base-Base interactions energy: -202.337
where: short stacking energy: -101.751
Base-Backbone interact. energy: 0.268
local terms energy: -94.285753
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -25.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -314.732943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.732943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.732943 (E_RNA)
where:
Base-Base interactions energy: -223.602
where: short stacking energy: -104.136
Base-Backbone interact. energy: 0.141
local terms energy: -91.271970
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -23.909
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: 5, replica: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -294.397950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.397950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.397950 (E_RNA)
where:
Base-Base interactions energy: -212.659
where: short stacking energy: -102.915
Base-Backbone interact. energy: -0.031
local terms energy: -81.708190
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -12.808
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: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -246.707445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.707445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.707445 (E_RNA)
where:
Base-Base interactions energy: -169.368
where: short stacking energy: -80.347
Base-Backbone interact. energy: -0.006
local terms energy: -77.333519
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -18.334
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: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -212.444982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.444982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.444982 (E_RNA)
where:
Base-Base interactions energy: -144.508
where: short stacking energy: -92.275
Base-Backbone interact. energy: -0.680
local terms energy: -67.257084
where:
bonds (distance) C4'-P energy: -6.091
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -218.516193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.516193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.516193 (E_RNA)
where:
Base-Base interactions energy: -153.143
where: short stacking energy: -59.533
Base-Backbone interact. energy: -0.175
local terms energy: -65.197758
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -9.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -201.408080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.408080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.408080 (E_RNA)
where:
Base-Base interactions energy: -146.061
where: short stacking energy: -45.257
Base-Backbone interact. energy: -0.465
local terms energy: -54.881670
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -5.205
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: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -190.127778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.127778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.127778 (E_RNA)
where:
Base-Base interactions energy: -120.412
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.097
local terms energy: -69.618938
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -319.691347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.691347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.691347 (E_RNA)
where:
Base-Base interactions energy: -228.425
where: short stacking energy: -106.180
Base-Backbone interact. energy: -0.576
local terms energy: -90.690904
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -24.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -309.704149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.704149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.704149 (E_RNA)
where:
Base-Base interactions energy: -219.848
where: short stacking energy: -104.383
Base-Backbone interact. energy: 1.582
local terms energy: -91.438102
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -23.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -306.386918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.386918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.386918 (E_RNA)
where:
Base-Base interactions energy: -220.255
where: short stacking energy: -94.656
Base-Backbone interact. energy: -0.274
local terms energy: -85.857885
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -22.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -287.572984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.572984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.572984 (E_RNA)
where:
Base-Base interactions energy: -208.432
where: short stacking energy: -96.880
Base-Backbone interact. energy: -0.002
local terms energy: -79.138693
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -8.254
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -22.513
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: 434
Temperature: 1.100000
Total energy: -248.782112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.782112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.782112 (E_RNA)
where:
Base-Base interactions energy: -176.502
where: short stacking energy: -92.463
Base-Backbone interact. energy: -0.049
local terms energy: -72.231610
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -299.340246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.340246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.340246 (E_RNA)
where:
Base-Base interactions energy: -210.972
where: short stacking energy: -89.124
Base-Backbone interact. energy: -0.174
local terms energy: -88.194581
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -23.224
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: 434
Temperature: 1.200000
Total energy: -249.946600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.946600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.946600 (E_RNA)
where:
Base-Base interactions energy: -174.430
where: short stacking energy: -78.328
Base-Backbone interact. energy: -0.165
local terms energy: -75.352461
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -205.324480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.324480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.324480 (E_RNA)
where:
Base-Base interactions energy: -138.915
where: short stacking energy: -69.417
Base-Backbone interact. energy: -0.093
local terms energy: -66.316560
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -184.033304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.033304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.033304 (E_RNA)
where:
Base-Base interactions energy: -123.913
where: short stacking energy: -57.031
Base-Backbone interact. energy: 0.881
local terms energy: -61.001191
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -10.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -198.521906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.521906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.521906 (E_RNA)
where:
Base-Base interactions energy: -139.436
where: short stacking energy: -70.617
Base-Backbone interact. energy: -0.133
local terms energy: -58.952926
where:
bonds (distance) C4'-P energy: -5.326
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -13.792
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: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -321.609911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.609911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.609911 (E_RNA)
where:
Base-Base interactions energy: -230.747
where: short stacking energy: -103.573
Base-Backbone interact. energy: -0.046
local terms energy: -90.816400
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -13.765
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: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -306.860622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.860622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.860622 (E_RNA)
where:
Base-Base interactions energy: -217.742
where: short stacking energy: -91.425
Base-Backbone interact. energy: -0.044
local terms energy: -89.074542
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -24.887
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: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -304.976069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.976069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.976069 (E_RNA)
where:
Base-Base interactions energy: -219.174
where: short stacking energy: -94.786
Base-Backbone interact. energy: -0.002
local terms energy: -85.800050
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -22.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -271.106891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.106891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.106891 (E_RNA)
where:
Base-Base interactions energy: -187.912
where: short stacking energy: -96.775
Base-Backbone interact. energy: -1.304
local terms energy: -81.890418
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -21.688
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: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -288.951267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.951267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.951267 (E_RNA)
where:
Base-Base interactions energy: -210.093
where: short stacking energy: -87.099
Base-Backbone interact. energy: 2.401
local terms energy: -81.259743
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -22.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -277.765155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.765155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.765155 (E_RNA)
where:
Base-Base interactions energy: -197.059
where: short stacking energy: -88.987
Base-Backbone interact. energy: -0.204
local terms energy: -80.501313
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -292.362309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.362309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.362309 (E_RNA)
where:
Base-Base interactions energy: -210.064
where: short stacking energy: -97.729
Base-Backbone interact. energy: -0.015
local terms energy: -82.283665
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -25.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -210.462177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.462177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.462177 (E_RNA)
where:
Base-Base interactions energy: -147.869
where: short stacking energy: -72.052
Base-Backbone interact. energy: 0.282
local terms energy: -62.874763
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -200.054948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.054948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.054948 (E_RNA)
where:
Base-Base interactions energy: -129.290
where: short stacking energy: -54.279
Base-Backbone interact. energy: 0.387
local terms energy: -71.151298
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -191.238260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.238260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.238260 (E_RNA)
where:
Base-Base interactions energy: -128.157
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.171
local terms energy: -62.910455
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -314.708257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.708257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.708257 (E_RNA)
where:
Base-Base interactions energy: -226.232
where: short stacking energy: -97.783
Base-Backbone interact. energy: 0.640
local terms energy: -89.115727
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -26.365
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: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -312.396842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.396842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.396842 (E_RNA)
where:
Base-Base interactions energy: -225.387
where: short stacking energy: -101.384
Base-Backbone interact. energy: -0.160
local terms energy: -86.850120
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -24.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -307.386709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.386709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.386709 (E_RNA)
where:
Base-Base interactions energy: -222.501
where: short stacking energy: -105.750
Base-Backbone interact. energy: -0.006
local terms energy: -84.879769
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -268.496346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.496346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.496346 (E_RNA)
where:
Base-Base interactions energy: -186.992
where: short stacking energy: -96.005
Base-Backbone interact. energy: -1.182
local terms energy: -80.322344
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -22.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -272.307736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.307736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.307736 (E_RNA)
where:
Base-Base interactions energy: -193.726
where: short stacking energy: -80.192
Base-Backbone interact. energy: -0.207
local terms energy: -78.374390
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -16.401
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: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -285.542908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.542908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.542908 (E_RNA)
where:
Base-Base interactions energy: -208.223
where: short stacking energy: -88.301
Base-Backbone interact. energy: -0.048
local terms energy: -77.272316
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -4.816
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -216.983017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.983017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.983017 (E_RNA)
where:
Base-Base interactions energy: -157.867
where: short stacking energy: -73.446
Base-Backbone interact. energy: -1.418
local terms energy: -57.698105
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -280.014531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.014531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.014531 (E_RNA)
where:
Base-Base interactions energy: -202.029
where: short stacking energy: -89.454
Base-Backbone interact. energy: -0.187
local terms energy: -77.799103
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -25.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -200.302005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.302005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.302005 (E_RNA)
where:
Base-Base interactions energy: -128.319
where: short stacking energy: -59.475
Base-Backbone interact. energy: -0.376
local terms energy: -71.607951
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -185.127711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.127711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.127711 (E_RNA)
where:
Base-Base interactions energy: -121.304
where: short stacking energy: -67.780
Base-Backbone interact. energy: -0.197
local terms energy: -63.625891
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -312.243820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.243820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.243820 (E_RNA)
where:
Base-Base interactions energy: -220.235
where: short stacking energy: -102.378
Base-Backbone interact. energy: -0.007
local terms energy: -92.001083
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -24.873
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: 437
Temperature: 0.950000
Total energy: -313.380727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.380727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.380727 (E_RNA)
where:
Base-Base interactions energy: -222.534
where: short stacking energy: -101.852
Base-Backbone interact. energy: -0.042
local terms energy: -90.804648
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -309.039421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.039421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.039421 (E_RNA)
where:
Base-Base interactions energy: -216.650
where: short stacking energy: -95.100
Base-Backbone interact. energy: -0.867
local terms energy: -91.523138
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -24.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -275.851478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.851478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.851478 (E_RNA)
where:
Base-Base interactions energy: -187.664
where: short stacking energy: -97.035
Base-Backbone interact. energy: 0.988
local terms energy: -89.175214
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -24.431
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: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -258.193560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.193560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.193560 (E_RNA)
where:
Base-Base interactions energy: -188.054
where: short stacking energy: -82.335
Base-Backbone interact. energy: 0.050
local terms energy: -70.189343
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -285.887954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.887954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.887954 (E_RNA)
where:
Base-Base interactions energy: -209.718
where: short stacking energy: -98.832
Base-Backbone interact. energy: 0.470
local terms energy: -76.640058
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -23.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -225.447182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.447182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.447182 (E_RNA)
where:
Base-Base interactions energy: -150.933
where: short stacking energy: -75.493
Base-Backbone interact. energy: -0.376
local terms energy: -74.138948
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -19.716
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: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -284.747351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.747351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.747351 (E_RNA)
where:
Base-Base interactions energy: -210.171
where: short stacking energy: -88.901
Base-Backbone interact. energy: -0.598
local terms energy: -73.978662
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -9.307
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -26.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -188.008805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.008805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.008805 (E_RNA)
where:
Base-Base interactions energy: -126.299
where: short stacking energy: -62.540
Base-Backbone interact. energy: -0.273
local terms energy: -61.436587
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -9.051
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -197.083222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.083222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.083222 (E_RNA)
where:
Base-Base interactions energy: -133.692
where: short stacking energy: -68.268
Base-Backbone interact. energy: 1.787
local terms energy: -65.178676
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -9.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -316.927804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.927804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.927804 (E_RNA)
where:
Base-Base interactions energy: -233.350
where: short stacking energy: -104.160
Base-Backbone interact. energy: -0.069
local terms energy: -83.509148
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -25.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -310.920124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.920124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.920124 (E_RNA)
where:
Base-Base interactions energy: -234.405
where: short stacking energy: -101.212
Base-Backbone interact. energy: -0.008
local terms energy: -76.506975
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -302.786738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.786738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.786738 (E_RNA)
where:
Base-Base interactions energy: -213.819
where: short stacking energy: -97.065
Base-Backbone interact. energy: 0.054
local terms energy: -89.021699
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -266.610038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.610038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.610038 (E_RNA)
where:
Base-Base interactions energy: -183.276
where: short stacking energy: -94.495
Base-Backbone interact. energy: -0.713
local terms energy: -82.620225
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -21.428
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: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -290.848388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.848388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.848388 (E_RNA)
where:
Base-Base interactions energy: -217.095
where: short stacking energy: -90.646
Base-Backbone interact. energy: -0.005
local terms energy: -73.748129
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -21.152
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: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -277.586121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.586121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.586121 (E_RNA)
where:
Base-Base interactions energy: -204.310
where: short stacking energy: -82.953
Base-Backbone interact. energy: 0.140
local terms energy: -73.415480
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -15.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -291.019211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.019211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.019211 (E_RNA)
where:
Base-Base interactions energy: -210.356
where: short stacking energy: -87.784
Base-Backbone interact. energy: -0.079
local terms energy: -80.584826
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -25.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -208.989854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.989854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.989854 (E_RNA)
where:
Base-Base interactions energy: -145.350
where: short stacking energy: -69.897
Base-Backbone interact. energy: 1.006
local terms energy: -64.645588
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -199.156395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.156395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.156395 (E_RNA)
where:
Base-Base interactions energy: -136.806
where: short stacking energy: -55.327
Base-Backbone interact. energy: -0.088
local terms energy: -62.263155
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: -13.148
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: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -192.299593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.299593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.299593 (E_RNA)
where:
Base-Base interactions energy: -121.259
where: short stacking energy: -64.336
Base-Backbone interact. energy: 1.000
local terms energy: -72.039773
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -319.597414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.597414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.597414 (E_RNA)
where:
Base-Base interactions energy: -230.444
where: short stacking energy: -98.372
Base-Backbone interact. energy: -0.001
local terms energy: -89.152806
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -312.783980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.783980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.783980 (E_RNA)
where:
Base-Base interactions energy: -225.025
where: short stacking energy: -100.988
Base-Backbone interact. energy: -0.238
local terms energy: -87.520602
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -26.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -308.219113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.219113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.219113 (E_RNA)
where:
Base-Base interactions energy: -218.323
where: short stacking energy: -96.485
Base-Backbone interact. energy: -0.047
local terms energy: -89.849077
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -19.895
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -23.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -295.025077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.025077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.025077 (E_RNA)
where:
Base-Base interactions energy: -210.729
where: short stacking energy: -82.771
Base-Backbone interact. energy: -0.034
local terms energy: -84.262783
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -12.203
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: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -260.643450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.643450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.643450 (E_RNA)
where:
Base-Base interactions energy: -178.842
where: short stacking energy: -77.392
Base-Backbone interact. energy: -0.172
local terms energy: -81.629823
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -288.457649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.457649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.457649 (E_RNA)
where:
Base-Base interactions energy: -200.420
where: short stacking energy: -89.501
Base-Backbone interact. energy: -0.169
local terms energy: -87.869562
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -26.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -266.686472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.686472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.686472 (E_RNA)
where:
Base-Base interactions energy: -194.041
where: short stacking energy: -82.808
Base-Backbone interact. energy: 1.596
local terms energy: -74.240883
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -242.932098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.932098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.932098 (E_RNA)
where:
Base-Base interactions energy: -168.412
where: short stacking energy: -79.295
Base-Backbone interact. energy: -0.057
local terms energy: -74.463782
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -199.916844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.916844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.916844 (E_RNA)
where:
Base-Base interactions energy: -132.676
where: short stacking energy: -80.823
Base-Backbone interact. energy: -0.105
local terms energy: -67.136124
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -6.251
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: 10, replica: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -187.289802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.289802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.289802 (E_RNA)
where:
Base-Base interactions energy: -127.185
where: short stacking energy: -71.256
Base-Backbone interact. energy: 1.281
local terms energy: -61.386565
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -13.498
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: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -316.278034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.278034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.278034 (E_RNA)
where:
Base-Base interactions energy: -229.094
where: short stacking energy: -103.454
Base-Backbone interact. energy: -0.111
local terms energy: -87.073362
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -26.024
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: 440
Temperature: 0.950000
Total energy: -314.005246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.005246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.005246 (E_RNA)
where:
Base-Base interactions energy: -228.896
where: short stacking energy: -95.602
Base-Backbone interact. energy: -0.000
local terms energy: -85.109101
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -25.968
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: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -305.444863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.444863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.444863 (E_RNA)
where:
Base-Base interactions energy: -213.264
where: short stacking energy: -99.923
Base-Backbone interact. energy: -0.180
local terms energy: -92.001143
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -24.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -302.101140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.101140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.101140 (E_RNA)
where:
Base-Base interactions energy: -216.761
where: short stacking energy: -95.942
Base-Backbone interact. energy: -0.070
local terms energy: -85.270737
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -22.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -303.518984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.518984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.518984 (E_RNA)
where:
Base-Base interactions energy: -220.849
where: short stacking energy: -101.182
Base-Backbone interact. energy: 0.497
local terms energy: -83.167354
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -251.422837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.422837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.422837 (E_RNA)
where:
Base-Base interactions energy: -170.130
where: short stacking energy: -89.254
Base-Backbone interact. energy: -1.063
local terms energy: -80.229831
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -14.057
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: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -256.790610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.790610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.790610 (E_RNA)
where:
Base-Base interactions energy: -181.333
where: short stacking energy: -77.297
Base-Backbone interact. energy: 0.632
local terms energy: -76.090107
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -211.848227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.848227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.848227 (E_RNA)
where:
Base-Base interactions energy: -142.799
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.140
local terms energy: -68.908510
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -10.423
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: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -212.131838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.131838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.131838 (E_RNA)
where:
Base-Base interactions energy: -140.945
where: short stacking energy: -71.474
Base-Backbone interact. energy: -0.080
local terms energy: -71.106824
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -17.969
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -166.808020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.808020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.808020 (E_RNA)
where:
Base-Base interactions energy: -104.191
where: short stacking energy: -40.824
Base-Backbone interact. energy: -0.456
local terms energy: -62.161838
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -326.880544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.880544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.880544 (E_RNA)
where:
Base-Base interactions energy: -241.168
where: short stacking energy: -102.518
Base-Backbone interact. energy: -0.002
local terms energy: -85.710341
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -24.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -310.277762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.277762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.277762 (E_RNA)
where:
Base-Base interactions energy: -222.742
where: short stacking energy: -95.217
Base-Backbone interact. energy: -0.142
local terms energy: -87.393279
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -22.993
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: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -307.657805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.657805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.657805 (E_RNA)
where:
Base-Base interactions energy: -222.678
where: short stacking energy: -104.858
Base-Backbone interact. energy: -0.000
local terms energy: -84.979834
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -24.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -307.093737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.093737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.093737 (E_RNA)
where:
Base-Base interactions energy: -222.091
where: short stacking energy: -91.283
Base-Backbone interact. energy: -0.093
local terms energy: -84.909069
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -22.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -293.216422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.216422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.216422 (E_RNA)
where:
Base-Base interactions energy: -215.127
where: short stacking energy: -95.333
Base-Backbone interact. energy: -0.345
local terms energy: -77.745247
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -24.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -257.225876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.225876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.225876 (E_RNA)
where:
Base-Base interactions energy: -187.601
where: short stacking energy: -78.928
Base-Backbone interact. energy: -0.252
local terms energy: -69.372403
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -239.863741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.863741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.863741 (E_RNA)
where:
Base-Base interactions energy: -159.230
where: short stacking energy: -72.575
Base-Backbone interact. energy: 0.192
local terms energy: -80.825624
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -226.398509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.398509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.398509 (E_RNA)
where:
Base-Base interactions energy: -154.400
where: short stacking energy: -71.133
Base-Backbone interact. energy: 0.847
local terms energy: -72.846319
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -10.577
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: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -192.481415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.481415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.481415 (E_RNA)
where:
Base-Base interactions energy: -120.590
where: short stacking energy: -67.358
Base-Backbone interact. energy: 0.482
local terms energy: -72.373520
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -159.998370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.998370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.998370 (E_RNA)
where:
Base-Base interactions energy: -93.403
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.386
local terms energy: -66.209474
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -10.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -315.904190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.904190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.904190 (E_RNA)
where:
Base-Base interactions energy: -228.431
where: short stacking energy: -98.662
Base-Backbone interact. energy: -0.760
local terms energy: -86.713364
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -310.116505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.116505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.116505 (E_RNA)
where:
Base-Base interactions energy: -220.613
where: short stacking energy: -99.839
Base-Backbone interact. energy: -0.014
local terms energy: -89.489365
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -24.001
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: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -306.778407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.778407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.778407 (E_RNA)
where:
Base-Base interactions energy: -218.247
where: short stacking energy: -95.332
Base-Backbone interact. energy: -0.001
local terms energy: -88.530384
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -24.259
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: 442
Temperature: 1.050000
Total energy: -310.987826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.987826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.987826 (E_RNA)
where:
Base-Base interactions energy: -220.299
where: short stacking energy: -90.218
Base-Backbone interact. energy: -0.010
local terms energy: -90.679656
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -27.974
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: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -306.671972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.671972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.671972 (E_RNA)
where:
Base-Base interactions energy: -223.037
where: short stacking energy: -97.197
Base-Backbone interact. energy: -0.061
local terms energy: -83.573856
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -25.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -265.688466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.688466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.688466 (E_RNA)
where:
Base-Base interactions energy: -193.762
where: short stacking energy: -84.813
Base-Backbone interact. energy: 0.112
local terms energy: -72.038534
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -12.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -236.202320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.202320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.202320 (E_RNA)
where:
Base-Base interactions energy: -156.068
where: short stacking energy: -67.771
Base-Backbone interact. energy: 1.437
local terms energy: -81.571171
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -241.579507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.579507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.579507 (E_RNA)
where:
Base-Base interactions energy: -164.924
where: short stacking energy: -88.453
Base-Backbone interact. energy: -0.013
local terms energy: -76.642323
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -22.966
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: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -154.017880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.017880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.017880 (E_RNA)
where:
Base-Base interactions energy: -94.529
where: short stacking energy: -59.281
Base-Backbone interact. energy: -0.437
local terms energy: -59.052385
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -180.836637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.836637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.836637 (E_RNA)
where:
Base-Base interactions energy: -118.654
where: short stacking energy: -56.733
Base-Backbone interact. energy: 1.555
local terms energy: -63.737888
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -6.624
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: 443
Temperature: 0.900000
Total energy: -326.513149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.513149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.513149 (E_RNA)
where:
Base-Base interactions energy: -241.883
where: short stacking energy: -105.244
Base-Backbone interact. energy: -0.423
local terms energy: -84.206730
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -313.850790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.850790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.850790 (E_RNA)
where:
Base-Base interactions energy: -233.445
where: short stacking energy: -97.718
Base-Backbone interact. energy: -0.018
local terms energy: -80.387076
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -24.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -299.803443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.803443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.803443 (E_RNA)
where:
Base-Base interactions energy: -205.831
where: short stacking energy: -82.612
Base-Backbone interact. energy: -0.327
local terms energy: -93.645678
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -310.068028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.068028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.068028 (E_RNA)
where:
Base-Base interactions energy: -229.359
where: short stacking energy: -100.723
Base-Backbone interact. energy: -0.001
local terms energy: -80.708312
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -23.098
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: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -289.580384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.580384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.580384 (E_RNA)
where:
Base-Base interactions energy: -214.460
where: short stacking energy: -87.485
Base-Backbone interact. energy: -0.475
local terms energy: -74.645216
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -23.205
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: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -239.484306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.484306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.484306 (E_RNA)
where:
Base-Base interactions energy: -161.431
where: short stacking energy: -85.210
Base-Backbone interact. energy: -0.508
local terms energy: -77.545792
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -10.032
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: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -267.587439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.587439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.587439 (E_RNA)
where:
Base-Base interactions energy: -195.300
where: short stacking energy: -80.743
Base-Backbone interact. energy: -0.016
local terms energy: -72.272095
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -226.318546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.318546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.318546 (E_RNA)
where:
Base-Base interactions energy: -149.955
where: short stacking energy: -72.211
Base-Backbone interact. energy: -0.721
local terms energy: -75.642394
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -176.310834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.310834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.310834 (E_RNA)
where:
Base-Base interactions energy: -108.868
where: short stacking energy: -56.026
Base-Backbone interact. energy: -0.644
local terms energy: -66.798124
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -13.600
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: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -194.904755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.904755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.904755 (E_RNA)
where:
Base-Base interactions energy: -132.720
where: short stacking energy: -68.021
Base-Backbone interact. energy: -0.255
local terms energy: -61.929586
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -2.752
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -327.719889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.719889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.719889 (E_RNA)
where:
Base-Base interactions energy: -243.957
where: short stacking energy: -102.003
Base-Backbone interact. energy: -0.062
local terms energy: -83.701462
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -320.878301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.878301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.878301 (E_RNA)
where:
Base-Base interactions energy: -238.392
where: short stacking energy: -103.415
Base-Backbone interact. energy: -0.264
local terms energy: -82.221491
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -27.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -314.638602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.638602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.638602 (E_RNA)
where:
Base-Base interactions energy: -228.361
where: short stacking energy: -96.401
Base-Backbone interact. energy: -0.008
local terms energy: -86.269509
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -25.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -302.336413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.336413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.336413 (E_RNA)
where:
Base-Base interactions energy: -214.843
where: short stacking energy: -93.496
Base-Backbone interact. energy: -0.301
local terms energy: -87.192639
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -26.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -294.537528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.537528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.537528 (E_RNA)
where:
Base-Base interactions energy: -214.962
where: short stacking energy: -99.099
Base-Backbone interact. energy: -0.003
local terms energy: -79.572116
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -22.230
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: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -236.289303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.289303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.289303 (E_RNA)
where:
Base-Base interactions energy: -163.736
where: short stacking energy: -87.170
Base-Backbone interact. energy: -0.000
local terms energy: -72.552719
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -22.579
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: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -232.612896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.612896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.612896 (E_RNA)
where:
Base-Base interactions energy: -155.666
where: short stacking energy: -73.743
Base-Backbone interact. energy: -0.345
local terms energy: -76.601523
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -13.233
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: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -232.400214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.400214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.400214 (E_RNA)
where:
Base-Base interactions energy: -162.217
where: short stacking energy: -68.520
Base-Backbone interact. energy: -0.852
local terms energy: -69.331052
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -190.583231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.583231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.583231 (E_RNA)
where:
Base-Base interactions energy: -128.895
where: short stacking energy: -50.726
Base-Backbone interact. energy: -0.196
local terms energy: -61.491447
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -14.527
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: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -155.703394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.703394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.703394 (E_RNA)
where:
Base-Base interactions energy: -102.754
where: short stacking energy: -60.557
Base-Backbone interact. energy: 0.330
local terms energy: -53.279080
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -8.553
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -11.621
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: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -330.277928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.277928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.277928 (E_RNA)
where:
Base-Base interactions energy: -243.683
where: short stacking energy: -102.581
Base-Backbone interact. energy: -0.006
local terms energy: -86.589548
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -25.270
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: 445
Temperature: 0.950000
Total energy: -313.948803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.948803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.948803 (E_RNA)
where:
Base-Base interactions energy: -228.404
where: short stacking energy: -99.927
Base-Backbone interact. energy: -0.255
local terms energy: -85.289791
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -25.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -305.205513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.205513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.205513 (E_RNA)
where:
Base-Base interactions energy: -212.124
where: short stacking energy: -94.483
Base-Backbone interact. energy: -0.059
local terms energy: -93.022806
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -23.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -295.177228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.177228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.177228 (E_RNA)
where:
Base-Base interactions energy: -210.307
where: short stacking energy: -93.311
Base-Backbone interact. energy: -0.074
local terms energy: -84.795929
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -24.663
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: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -298.680265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.680265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.680265 (E_RNA)
where:
Base-Base interactions energy: -212.780
where: short stacking energy: -87.197
Base-Backbone interact. energy: -0.171
local terms energy: -85.728794
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -21.414
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: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -234.784451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.784451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.784451 (E_RNA)
where:
Base-Base interactions energy: -161.158
where: short stacking energy: -81.429
Base-Backbone interact. energy: -0.326
local terms energy: -73.299791
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -229.415226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.415226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.415226 (E_RNA)
where:
Base-Base interactions energy: -161.667
where: short stacking energy: -79.113
Base-Backbone interact. energy: -0.096
local terms energy: -67.652219
where:
bonds (distance) C4'-P energy: -6.598
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -201.637435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.637435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.637435 (E_RNA)
where:
Base-Base interactions energy: -137.917
where: short stacking energy: -73.811
Base-Backbone interact. energy: -0.085
local terms energy: -63.634754
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -235.096598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.096598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.096598 (E_RNA)
where:
Base-Base interactions energy: -174.745
where: short stacking energy: -79.570
Base-Backbone interact. energy: 0.255
local terms energy: -60.606376
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -9.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -173.239574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.239574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.239574 (E_RNA)
where:
Base-Base interactions energy: -117.209
where: short stacking energy: -63.248
Base-Backbone interact. energy: -0.178
local terms energy: -55.852074
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -11.100
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -330.213689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.213689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.213689 (E_RNA)
where:
Base-Base interactions energy: -239.592
where: short stacking energy: -102.110
Base-Backbone interact. energy: -0.005
local terms energy: -90.617207
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -25.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -306.750985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.750985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.750985 (E_RNA)
where:
Base-Base interactions energy: -221.839
where: short stacking energy: -103.180
Base-Backbone interact. energy: -0.001
local terms energy: -84.910530
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -24.987
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: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -306.199376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.199376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.199376 (E_RNA)
where:
Base-Base interactions energy: -218.394
where: short stacking energy: -97.212
Base-Backbone interact. energy: -0.099
local terms energy: -87.706745
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -24.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -301.905542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.905542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.905542 (E_RNA)
where:
Base-Base interactions energy: -216.743
where: short stacking energy: -104.566
Base-Backbone interact. energy: 0.017
local terms energy: -85.179811
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -23.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -296.461388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.461388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.461388 (E_RNA)
where:
Base-Base interactions energy: -208.065
where: short stacking energy: -97.799
Base-Backbone interact. energy: -0.087
local terms energy: -88.309616
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -25.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -234.305239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.305239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.305239 (E_RNA)
where:
Base-Base interactions energy: -155.804
where: short stacking energy: -74.065
Base-Backbone interact. energy: -0.266
local terms energy: -78.234528
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -18.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -248.238823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.238823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.238823 (E_RNA)
where:
Base-Base interactions energy: -165.842
where: short stacking energy: -89.771
Base-Backbone interact. energy: -0.026
local terms energy: -82.371192
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -213.150249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.150249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.150249 (E_RNA)
where:
Base-Base interactions energy: -136.995
where: short stacking energy: -63.717
Base-Backbone interact. energy: -1.561
local terms energy: -74.593399
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -210.755361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.755361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.755361 (E_RNA)
where:
Base-Base interactions energy: -150.950
where: short stacking energy: -58.283
Base-Backbone interact. energy: -0.173
local terms energy: -59.632397
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -172.575770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.575770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.575770 (E_RNA)
where:
Base-Base interactions energy: -126.108
where: short stacking energy: -50.912
Base-Backbone interact. energy: 0.214
local terms energy: -46.681754
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -4.607
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -326.236317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.236317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.236317 (E_RNA)
where:
Base-Base interactions energy: -240.065
where: short stacking energy: -104.579
Base-Backbone interact. energy: -0.010
local terms energy: -86.160751
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -24.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -312.796108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.796108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.796108 (E_RNA)
where:
Base-Base interactions energy: -228.791
where: short stacking energy: -101.938
Base-Backbone interact. energy: -0.003
local terms energy: -84.002117
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -302.033874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.033874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.033874 (E_RNA)
where:
Base-Base interactions energy: -218.379
where: short stacking energy: -103.041
Base-Backbone interact. energy: -0.122
local terms energy: -83.532926
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -26.026
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: 447
Temperature: 1.050000
Total energy: -298.656332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.656332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.656332 (E_RNA)
where:
Base-Base interactions energy: -219.573
where: short stacking energy: -100.573
Base-Backbone interact. energy: -0.241
local terms energy: -78.842023
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -299.156891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.156891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.156891 (E_RNA)
where:
Base-Base interactions energy: -216.710
where: short stacking energy: -91.387
Base-Backbone interact. energy: -0.011
local terms energy: -82.436231
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -25.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -258.254738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.254738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.254738 (E_RNA)
where:
Base-Base interactions energy: -172.929
where: short stacking energy: -90.840
Base-Backbone interact. energy: -1.562
local terms energy: -83.763783
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -24.207
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: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -228.974127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.974127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.974127 (E_RNA)
where:
Base-Base interactions energy: -156.826
where: short stacking energy: -76.917
Base-Backbone interact. energy: -0.551
local terms energy: -71.596822
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -15.332
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: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -198.063276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.063276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.063276 (E_RNA)
where:
Base-Base interactions energy: -131.893
where: short stacking energy: -77.741
Base-Backbone interact. energy: 0.455
local terms energy: -66.624959
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -8.272
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: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -200.680575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.680575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.680575 (E_RNA)
where:
Base-Base interactions energy: -134.733
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.124
local terms energy: -65.823354
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -9.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -183.417093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.417093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.417093 (E_RNA)
where:
Base-Base interactions energy: -122.029
where: short stacking energy: -61.488
Base-Backbone interact. energy: -0.034
local terms energy: -61.354021
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -16.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -316.810640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.810640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.810640 (E_RNA)
where:
Base-Base interactions energy: -221.592
where: short stacking energy: -98.536
Base-Backbone interact. energy: -0.002
local terms energy: -95.217288
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -22.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -314.692775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.692775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.692775 (E_RNA)
where:
Base-Base interactions energy: -237.762
where: short stacking energy: -104.714
Base-Backbone interact. energy: -0.200
local terms energy: -76.730371
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -25.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -310.434468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.434468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.434468 (E_RNA)
where:
Base-Base interactions energy: -218.474
where: short stacking energy: -94.787
Base-Backbone interact. energy: 0.116
local terms energy: -92.075902
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -300.480649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.480649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.480649 (E_RNA)
where:
Base-Base interactions energy: -220.894
where: short stacking energy: -106.102
Base-Backbone interact. energy: 0.050
local terms energy: -79.636249
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -26.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -296.356540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.356540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.356540 (E_RNA)
where:
Base-Base interactions energy: -217.755
where: short stacking energy: -93.952
Base-Backbone interact. energy: -0.096
local terms energy: -78.505609
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -23.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -242.654309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.654309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.654309 (E_RNA)
where:
Base-Base interactions energy: -171.070
where: short stacking energy: -97.405
Base-Backbone interact. energy: -1.229
local terms energy: -70.355673
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -227.508593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.508593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.508593 (E_RNA)
where:
Base-Base interactions energy: -155.492
where: short stacking energy: -79.856
Base-Backbone interact. energy: -0.132
local terms energy: -71.884535
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -196.353609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.353609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.353609 (E_RNA)
where:
Base-Base interactions energy: -123.626
where: short stacking energy: -65.080
Base-Backbone interact. energy: -1.227
local terms energy: -71.500333
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -186.590485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.590485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.590485 (E_RNA)
where:
Base-Base interactions energy: -117.865
where: short stacking energy: -63.226
Base-Backbone interact. energy: -0.119
local terms energy: -68.607321
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -11.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -202.771549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.771549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.771549 (E_RNA)
where:
Base-Base interactions energy: -145.559
where: short stacking energy: -54.217
Base-Backbone interact. energy: -0.398
local terms energy: -56.815418
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -9.163
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: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -313.108483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.108483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.108483 (E_RNA)
where:
Base-Base interactions energy: -221.246
where: short stacking energy: -102.364
Base-Backbone interact. energy: -0.009
local terms energy: -91.852896
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -24.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -311.109855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.109855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.109855 (E_RNA)
where:
Base-Base interactions energy: -220.666
where: short stacking energy: -98.394
Base-Backbone interact. energy: -0.239
local terms energy: -90.204806
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -25.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -310.667593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.667593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.667593 (E_RNA)
where:
Base-Base interactions energy: -223.295
where: short stacking energy: -102.228
Base-Backbone interact. energy: -0.013
local terms energy: -87.360183
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -23.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -314.914195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.914195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.914195 (E_RNA)
where:
Base-Base interactions energy: -229.040
where: short stacking energy: -101.464
Base-Backbone interact. energy: -0.003
local terms energy: -85.871447
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -295.521475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.521475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.521475 (E_RNA)
where:
Base-Base interactions energy: -219.764
where: short stacking energy: -95.537
Base-Backbone interact. energy: -0.157
local terms energy: -75.600363
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -21.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -252.539480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.539480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.539480 (E_RNA)
where:
Base-Base interactions energy: -168.655
where: short stacking energy: -86.147
Base-Backbone interact. energy: -0.919
local terms energy: -82.965885
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -244.600889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.600889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.600889 (E_RNA)
where:
Base-Base interactions energy: -166.597
where: short stacking energy: -77.228
Base-Backbone interact. energy: -0.421
local terms energy: -77.582484
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -3.855
tors. eta vs tors. theta energy: -19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -198.596020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.596020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.596020 (E_RNA)
where:
Base-Base interactions energy: -131.411
where: short stacking energy: -66.219
Base-Backbone interact. energy: -0.358
local terms energy: -66.827157
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -206.700484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.700484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.700484 (E_RNA)
where:
Base-Base interactions energy: -154.378
where: short stacking energy: -63.641
Base-Backbone interact. energy: -0.368
local terms energy: -51.953889
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -205.578294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.578294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.578294 (E_RNA)
where:
Base-Base interactions energy: -164.979
where: short stacking energy: -67.302
Base-Backbone interact. energy: 1.446
local terms energy: -42.045401
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -0.529
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -311.451994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.451994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.451994 (E_RNA)
where:
Base-Base interactions energy: -218.071
where: short stacking energy: -89.747
Base-Backbone interact. energy: -0.069
local terms energy: -93.312909
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -27.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -315.826993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.826993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.826993 (E_RNA)
where:
Base-Base interactions energy: -223.472
where: short stacking energy: -104.323
Base-Backbone interact. energy: -0.088
local terms energy: -92.267540
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -23.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -304.837260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.837260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.837260 (E_RNA)
where:
Base-Base interactions energy: -218.139
where: short stacking energy: -99.544
Base-Backbone interact. energy: -0.017
local terms energy: -86.681402
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -23.675
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: 450
Temperature: 1.050000
Total energy: -307.584733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.584733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.584733 (E_RNA)
where:
Base-Base interactions energy: -220.928
where: short stacking energy: -95.742
Base-Backbone interact. energy: -0.214
local terms energy: -86.443294
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -23.748
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: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -293.138108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.138108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.138108 (E_RNA)
where:
Base-Base interactions energy: -214.232
where: short stacking energy: -100.071
Base-Backbone interact. energy: -0.001
local terms energy: -78.904450
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -21.584
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: 450
Temperature: 1.150000
Total energy: -241.624504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.624504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.624504 (E_RNA)
where:
Base-Base interactions energy: -158.173
where: short stacking energy: -75.041
Base-Backbone interact. energy: -1.386
local terms energy: -82.065796
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -17.406
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: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -227.515130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.515130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.515130 (E_RNA)
where:
Base-Base interactions energy: -162.508
where: short stacking energy: -76.640
Base-Backbone interact. energy: -0.903
local terms energy: -64.104488
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -184.820767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.820767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.820767 (E_RNA)
where:
Base-Base interactions energy: -117.505
where: short stacking energy: -57.108
Base-Backbone interact. energy: -0.440
local terms energy: -66.876168
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -190.568442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.568442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.568442 (E_RNA)
where:
Base-Base interactions energy: -137.364
where: short stacking energy: -56.086
Base-Backbone interact. energy: 0.359
local terms energy: -53.563496
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -6.472
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: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -204.714063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.714063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.714063 (E_RNA)
where:
Base-Base interactions energy: -134.640
where: short stacking energy: -56.964
Base-Backbone interact. energy: -0.331
local terms energy: -69.743351
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -11.738
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: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -313.119581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.119581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.119581 (E_RNA)
where:
Base-Base interactions energy: -224.380
where: short stacking energy: -95.155
Base-Backbone interact. energy: -0.040
local terms energy: -88.699735
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -306.834699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.834699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.834699 (E_RNA)
where:
Base-Base interactions energy: -224.867
where: short stacking energy: -100.520
Base-Backbone interact. energy: -0.031
local terms energy: -81.936696
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -307.705335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.705335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.705335 (E_RNA)
where:
Base-Base interactions energy: -223.045
where: short stacking energy: -99.825
Base-Backbone interact. energy: -0.041
local terms energy: -84.618996
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -24.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -302.859913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.859913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.859913 (E_RNA)
where:
Base-Base interactions energy: -216.345
where: short stacking energy: -107.870
Base-Backbone interact. energy: -0.518
local terms energy: -85.996480
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -24.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -297.383531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.383531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.383531 (E_RNA)
where:
Base-Base interactions energy: -221.933
where: short stacking energy: -94.697
Base-Backbone interact. energy: -0.350
local terms energy: -75.100432
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -24.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -244.092916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.092916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.092916 (E_RNA)
where:
Base-Base interactions energy: -161.321
where: short stacking energy: -82.143
Base-Backbone interact. energy: -0.314
local terms energy: -82.458326
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -227.444761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.444761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.444761 (E_RNA)
where:
Base-Base interactions energy: -150.313
where: short stacking energy: -80.524
Base-Backbone interact. energy: 0.341
local terms energy: -77.473007
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -202.917461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.917461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.917461 (E_RNA)
where:
Base-Base interactions energy: -140.619
where: short stacking energy: -72.679
Base-Backbone interact. energy: 1.888
local terms energy: -64.185908
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -8.797
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: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -208.670518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.670518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.670518 (E_RNA)
where:
Base-Base interactions energy: -142.723
where: short stacking energy: -73.540
Base-Backbone interact. energy: -1.386
local terms energy: -64.561780
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -196.179127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.179127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.179127 (E_RNA)
where:
Base-Base interactions energy: -127.374
where: short stacking energy: -66.030
Base-Backbone interact. energy: -0.115
local terms energy: -68.690663
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -9.048
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: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -320.827222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.827222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.827222 (E_RNA)
where:
Base-Base interactions energy: -228.143
where: short stacking energy: -105.498
Base-Backbone interact. energy: -0.001
local terms energy: -92.682833
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -25.015
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: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -318.299007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.299007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.299007 (E_RNA)
where:
Base-Base interactions energy: -237.933
where: short stacking energy: -98.772
Base-Backbone interact. energy: -0.011
local terms energy: -80.354357
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -24.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -307.433025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.433025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.433025 (E_RNA)
where:
Base-Base interactions energy: -216.926
where: short stacking energy: -97.675
Base-Backbone interact. energy: -0.374
local terms energy: -90.133178
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -26.014
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: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -298.153938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.153938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.153938 (E_RNA)
where:
Base-Base interactions energy: -219.617
where: short stacking energy: -91.635
Base-Backbone interact. energy: -0.344
local terms energy: -78.192780
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -293.017392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.017392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.017392 (E_RNA)
where:
Base-Base interactions energy: -211.768
where: short stacking energy: -88.425
Base-Backbone interact. energy: -0.112
local terms energy: -81.137549
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -24.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -236.482165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.482165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.482165 (E_RNA)
where:
Base-Base interactions energy: -160.865
where: short stacking energy: -85.716
Base-Backbone interact. energy: -0.472
local terms energy: -75.144889
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -229.024072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.024072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.024072 (E_RNA)
where:
Base-Base interactions energy: -157.441
where: short stacking energy: -80.024
Base-Backbone interact. energy: -0.049
local terms energy: -71.534801
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -20.354
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: 452
Temperature: 1.250000
Total energy: -214.803902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.803902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.803902 (E_RNA)
where:
Base-Base interactions energy: -150.784
where: short stacking energy: -72.169
Base-Backbone interact. energy: -0.073
local terms energy: -63.946648
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -8.060
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -186.138055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.138055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.138055 (E_RNA)
where:
Base-Base interactions energy: -121.270
where: short stacking energy: -58.322
Base-Backbone interact. energy: -0.144
local terms energy: -64.724084
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -201.032341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.032341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.032341 (E_RNA)
where:
Base-Base interactions energy: -131.790
where: short stacking energy: -65.602
Base-Backbone interact. energy: 0.511
local terms energy: -69.752550
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -14.580
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: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -312.981929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.981929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.981929 (E_RNA)
where:
Base-Base interactions energy: -231.803
where: short stacking energy: -103.282
Base-Backbone interact. energy: -0.002
local terms energy: -81.176803
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -309.991696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.991696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.991696 (E_RNA)
where:
Base-Base interactions energy: -230.460
where: short stacking energy: -99.212
Base-Backbone interact. energy: -0.040
local terms energy: -79.491134
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -25.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -310.575913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.575913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.575913 (E_RNA)
where:
Base-Base interactions energy: -226.742
where: short stacking energy: -101.326
Base-Backbone interact. energy: -0.627
local terms energy: -83.207212
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -23.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -309.874013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.874013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.874013 (E_RNA)
where:
Base-Base interactions energy: -220.074
where: short stacking energy: -102.858
Base-Backbone interact. energy: -0.007
local terms energy: -89.793137
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -25.818
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: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -284.285705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.285705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.285705 (E_RNA)
where:
Base-Base interactions energy: -205.745
where: short stacking energy: -83.395
Base-Backbone interact. energy: 0.323
local terms energy: -78.862904
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -21.205
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: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -231.945042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.945042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.945042 (E_RNA)
where:
Base-Base interactions energy: -158.545
where: short stacking energy: -81.402
Base-Backbone interact. energy: -0.002
local terms energy: -73.398127
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -245.636648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.636648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.636648 (E_RNA)
where:
Base-Base interactions energy: -169.602
where: short stacking energy: -74.902
Base-Backbone interact. energy: -0.268
local terms energy: -75.766431
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -20.972
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: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -229.421780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.421780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.421780 (E_RNA)
where:
Base-Base interactions energy: -148.099
where: short stacking energy: -78.089
Base-Backbone interact. energy: -1.225
local terms energy: -80.098097
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -193.746665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.746665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.746665 (E_RNA)
where:
Base-Base interactions energy: -135.043
where: short stacking energy: -49.350
Base-Backbone interact. energy: -0.701
local terms energy: -58.002894
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -204.545301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.545301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.545301 (E_RNA)
where:
Base-Base interactions energy: -138.276
where: short stacking energy: -77.529
Base-Backbone interact. energy: -0.132
local terms energy: -66.137746
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -318.828040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.828040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.828040 (E_RNA)
where:
Base-Base interactions energy: -233.319
where: short stacking energy: -99.522
Base-Backbone interact. energy: -0.297
local terms energy: -85.212352
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -24.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -314.807753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.807753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.807753 (E_RNA)
where:
Base-Base interactions energy: -226.938
where: short stacking energy: -102.124
Base-Backbone interact. energy: 0.535
local terms energy: -88.404848
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -25.214
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: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -312.189537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.189537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.189537 (E_RNA)
where:
Base-Base interactions energy: -223.131
where: short stacking energy: -97.800
Base-Backbone interact. energy: -0.042
local terms energy: -89.015700
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -25.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -305.631824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.631824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.631824 (E_RNA)
where:
Base-Base interactions energy: -223.904
where: short stacking energy: -101.205
Base-Backbone interact. energy: -0.011
local terms energy: -81.716986
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -22.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -289.411081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.411081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.411081 (E_RNA)
where:
Base-Base interactions energy: -214.499
where: short stacking energy: -86.167
Base-Backbone interact. energy: -0.076
local terms energy: -74.836105
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -21.837
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: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -228.942525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.942525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.942525 (E_RNA)
where:
Base-Base interactions energy: -148.902
where: short stacking energy: -94.442
Base-Backbone interact. energy: -0.009
local terms energy: -80.030938
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -240.045796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.045796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.045796 (E_RNA)
where:
Base-Base interactions energy: -164.659
where: short stacking energy: -89.939
Base-Backbone interact. energy: -1.912
local terms energy: -73.474340
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -21.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -230.328633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.328633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.328633 (E_RNA)
where:
Base-Base interactions energy: -154.135
where: short stacking energy: -81.558
Base-Backbone interact. energy: -0.060
local terms energy: -76.133166
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -177.118680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.118680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.118680 (E_RNA)
where:
Base-Base interactions energy: -115.009
where: short stacking energy: -48.590
Base-Backbone interact. energy: -0.231
local terms energy: -61.878832
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -201.223846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.223846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.223846 (E_RNA)
where:
Base-Base interactions energy: -135.010
where: short stacking energy: -61.304
Base-Backbone interact. energy: -0.121
local terms energy: -66.093251
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -11.287
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: 1, replica: 6
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -321.939797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.939797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.939797 (E_RNA)
where:
Base-Base interactions energy: -235.975
where: short stacking energy: -101.299
Base-Backbone interact. energy: -0.001
local terms energy: -85.963514
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -25.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -308.251243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.251243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.251243 (E_RNA)
where:
Base-Base interactions energy: -217.343
where: short stacking energy: -96.522
Base-Backbone interact. energy: -0.311
local terms energy: -90.597973
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -25.168
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: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -307.996314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.996314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.996314 (E_RNA)
where:
Base-Base interactions energy: -225.550
where: short stacking energy: -95.416
Base-Backbone interact. energy: -0.001
local terms energy: -82.445502
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -26.184
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: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -298.340516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.340516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.340516 (E_RNA)
where:
Base-Base interactions energy: -213.470
where: short stacking energy: -92.501
Base-Backbone interact. energy: -0.246
local terms energy: -84.624638
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -295.190540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.190540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.190540 (E_RNA)
where:
Base-Base interactions energy: -208.405
where: short stacking energy: -96.010
Base-Backbone interact. energy: -0.577
local terms energy: -86.208161
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -246.854427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.854427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.854427 (E_RNA)
where:
Base-Base interactions energy: -166.323
where: short stacking energy: -84.634
Base-Backbone interact. energy: -0.936
local terms energy: -79.595464
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -18.683
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: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -210.784007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.784007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.784007 (E_RNA)
where:
Base-Base interactions energy: -131.595
where: short stacking energy: -63.150
Base-Backbone interact. energy: -0.126
local terms energy: -79.062943
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -219.297579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.297579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.297579 (E_RNA)
where:
Base-Base interactions energy: -143.956
where: short stacking energy: -76.382
Base-Backbone interact. energy: -0.227
local terms energy: -75.114703
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -9.073
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: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -187.208038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.208038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.208038 (E_RNA)
where:
Base-Base interactions energy: -126.112
where: short stacking energy: -58.999
Base-Backbone interact. energy: -0.178
local terms energy: -60.918487
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -201.544364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.544364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.544364 (E_RNA)
where:
Base-Base interactions energy: -133.477
where: short stacking energy: -75.011
Base-Backbone interact. energy: 0.894
local terms energy: -68.961368
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -320.104475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.104475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.104475 (E_RNA)
where:
Base-Base interactions energy: -238.018
where: short stacking energy: -100.588
Base-Backbone interact. energy: -0.004
local terms energy: -82.082773
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -24.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -307.493465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.493465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.493465 (E_RNA)
where:
Base-Base interactions energy: -220.311
where: short stacking energy: -91.859
Base-Backbone interact. energy: -0.043
local terms energy: -87.139658
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -23.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -303.634278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.634278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.634278 (E_RNA)
where:
Base-Base interactions energy: -213.049
where: short stacking energy: -97.280
Base-Backbone interact. energy: -0.011
local terms energy: -90.573921
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -24.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -296.394236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.394236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.394236 (E_RNA)
where:
Base-Base interactions energy: -214.320
where: short stacking energy: -101.421
Base-Backbone interact. energy: -0.003
local terms energy: -82.071251
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -24.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -300.268777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.268777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.268777 (E_RNA)
where:
Base-Base interactions energy: -216.846
where: short stacking energy: -91.333
Base-Backbone interact. energy: -0.008
local terms energy: -83.414443
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -23.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -246.628357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.628357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.628357 (E_RNA)
where:
Base-Base interactions energy: -169.307
where: short stacking energy: -75.456
Base-Backbone interact. energy: -0.451
local terms energy: -76.870715
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -208.515438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.515438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.515438 (E_RNA)
where:
Base-Base interactions energy: -130.719
where: short stacking energy: -75.063
Base-Backbone interact. energy: -0.044
local terms energy: -77.752496
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -204.669356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.669356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.669356 (E_RNA)
where:
Base-Base interactions energy: -138.406
where: short stacking energy: -68.825
Base-Backbone interact. energy: -0.080
local terms energy: -66.182734
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -10.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -199.201349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.201349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.201349 (E_RNA)
where:
Base-Base interactions energy: -121.769
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.015
local terms energy: -77.417162
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -173.132923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.132923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.132923 (E_RNA)
where:
Base-Base interactions energy: -110.938
where: short stacking energy: -55.168
Base-Backbone interact. energy: -0.424
local terms energy: -61.770872
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -7.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -318.494842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.494842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.494842 (E_RNA)
where:
Base-Base interactions energy: -224.037
where: short stacking energy: -103.414
Base-Backbone interact. energy: -0.002
local terms energy: -94.455357
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -25.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -303.951644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.951644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.951644 (E_RNA)
where:
Base-Base interactions energy: -216.500
where: short stacking energy: -86.290
Base-Backbone interact. energy: 0.687
local terms energy: -88.138348
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -23.484
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: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -306.456017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.456017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.456017 (E_RNA)
where:
Base-Base interactions energy: -228.619
where: short stacking energy: -98.462
Base-Backbone interact. energy: -0.013
local terms energy: -77.823778
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -5.577
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: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -298.752437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.752437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.752437 (E_RNA)
where:
Base-Base interactions energy: -212.868
where: short stacking energy: -98.302
Base-Backbone interact. energy: 0.121
local terms energy: -86.005547
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -23.978
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: 1
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -296.171876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.171876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.171876 (E_RNA)
where:
Base-Base interactions energy: -221.601
where: short stacking energy: -91.587
Base-Backbone interact. energy: -0.224
local terms energy: -74.347452
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -245.642677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.642677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.642677 (E_RNA)
where:
Base-Base interactions energy: -160.636
where: short stacking energy: -85.489
Base-Backbone interact. energy: -0.709
local terms energy: -84.297560
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -19.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -215.818105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.818105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.818105 (E_RNA)
where:
Base-Base interactions energy: -142.952
where: short stacking energy: -71.742
Base-Backbone interact. energy: -0.573
local terms energy: -72.293013
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -14.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -200.218512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.218512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.218512 (E_RNA)
where:
Base-Base interactions energy: -140.404
where: short stacking energy: -69.719
Base-Backbone interact. energy: -0.031
local terms energy: -59.783484
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -195.965123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.965123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.965123 (E_RNA)
where:
Base-Base interactions energy: -130.300
where: short stacking energy: -69.691
Base-Backbone interact. energy: -0.004
local terms energy: -65.660976
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -17.921
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: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -185.312203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.312203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.312203 (E_RNA)
where:
Base-Base interactions energy: -117.523
where: short stacking energy: -58.373
Base-Backbone interact. energy: -0.013
local terms energy: -67.775442
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -316.511338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.511338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.511338 (E_RNA)
where:
Base-Base interactions energy: -225.395
where: short stacking energy: -98.753
Base-Backbone interact. energy: -0.215
local terms energy: -90.900589
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -25.297
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: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -303.617937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.617937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.617937 (E_RNA)
where:
Base-Base interactions energy: -216.109
where: short stacking energy: -95.126
Base-Backbone interact. energy: -0.009
local terms energy: -87.499407
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -24.958
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: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -310.028657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.028657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.028657 (E_RNA)
where:
Base-Base interactions energy: -224.704
where: short stacking energy: -93.573
Base-Backbone interact. energy: -0.009
local terms energy: -85.315294
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -306.966566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.966566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.966566 (E_RNA)
where:
Base-Base interactions energy: -218.536
where: short stacking energy: -96.034
Base-Backbone interact. energy: 0.134
local terms energy: -88.565196
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -24.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -289.759481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.759481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.759481 (E_RNA)
where:
Base-Base interactions energy: -202.632
where: short stacking energy: -98.500
Base-Backbone interact. energy: -0.322
local terms energy: -86.805353
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -25.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -241.453553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.453553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.453553 (E_RNA)
where:
Base-Base interactions energy: -158.887
where: short stacking energy: -76.793
Base-Backbone interact. energy: -0.346
local terms energy: -82.220328
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -227.062830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.062830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.062830 (E_RNA)
where:
Base-Base interactions energy: -154.862
where: short stacking energy: -61.102
Base-Backbone interact. energy: 0.279
local terms energy: -72.480309
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -13.757
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: 8, replica: 10
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -220.580470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.580470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.580470 (E_RNA)
where:
Base-Base interactions energy: -152.341
where: short stacking energy: -78.252
Base-Backbone interact. energy: -0.331
local terms energy: -67.907738
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -186.769193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.769193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.769193 (E_RNA)
where:
Base-Base interactions energy: -126.230
where: short stacking energy: -67.594
Base-Backbone interact. energy: -0.168
local terms energy: -60.371686
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -212.179911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.179911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.179911 (E_RNA)
where:
Base-Base interactions energy: -147.512
where: short stacking energy: -63.315
Base-Backbone interact. energy: -0.472
local terms energy: -64.195913
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -14.821
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: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -307.093236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.093236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.093236 (E_RNA)
where:
Base-Base interactions energy: -216.789
where: short stacking energy: -101.167
Base-Backbone interact. energy: 0.938
local terms energy: -91.242552
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -24.200
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: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -311.111195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.111195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.111195 (E_RNA)
where:
Base-Base interactions energy: -217.169
where: short stacking energy: -102.708
Base-Backbone interact. energy: -0.001
local terms energy: -93.940843
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -24.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -306.228592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.228592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.228592 (E_RNA)
where:
Base-Base interactions energy: -223.659
where: short stacking energy: -100.581
Base-Backbone interact. energy: -0.149
local terms energy: -82.420402
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -20.853
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: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -307.929392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.929392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.929392 (E_RNA)
where:
Base-Base interactions energy: -220.982
where: short stacking energy: -88.603
Base-Backbone interact. energy: -0.222
local terms energy: -86.725662
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -22.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -284.085023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.085023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.085023 (E_RNA)
where:
Base-Base interactions energy: -201.006
where: short stacking energy: -83.006
Base-Backbone interact. energy: -0.008
local terms energy: -83.071711
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -21.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -264.375127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.375127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.375127 (E_RNA)
where:
Base-Base interactions energy: -184.274
where: short stacking energy: -79.315
Base-Backbone interact. energy: -0.427
local terms energy: -79.673901
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -18.862
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: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -230.178995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.178995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.178995 (E_RNA)
where:
Base-Base interactions energy: -158.274
where: short stacking energy: -65.201
Base-Backbone interact. energy: -0.697
local terms energy: -71.208182
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -16.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -206.659748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.659748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.659748 (E_RNA)
where:
Base-Base interactions energy: -144.722
where: short stacking energy: -65.007
Base-Backbone interact. energy: 0.703
local terms energy: -62.640464
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -8.594
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: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -199.122361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.122361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.122361 (E_RNA)
where:
Base-Base interactions energy: -130.608
where: short stacking energy: -69.238
Base-Backbone interact. energy: -0.252
local terms energy: -68.261941
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -200.766181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.766181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.766181 (E_RNA)
where:
Base-Base interactions energy: -144.626
where: short stacking energy: -61.641
Base-Backbone interact. energy: -0.017
local terms energy: -56.123769
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -6.952
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -14.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -321.302819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.302819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.302819 (E_RNA)
where:
Base-Base interactions energy: -224.991
where: short stacking energy: -107.535
Base-Backbone interact. energy: 1.186
local terms energy: -97.497694
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -26.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -309.877812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.877812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.877812 (E_RNA)
where:
Base-Base interactions energy: -226.342
where: short stacking energy: -103.447
Base-Backbone interact. energy: -0.001
local terms energy: -83.534795
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -307.562951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.562951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.562951 (E_RNA)
where:
Base-Base interactions energy: -220.800
where: short stacking energy: -100.760
Base-Backbone interact. energy: 0.975
local terms energy: -87.737470
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -290.354962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.354962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.354962 (E_RNA)
where:
Base-Base interactions energy: -205.516
where: short stacking energy: -97.652
Base-Backbone interact. energy: 0.451
local terms energy: -85.290526
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -23.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -297.925697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.925697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.925697 (E_RNA)
where:
Base-Base interactions energy: -215.537
where: short stacking energy: -98.365
Base-Backbone interact. energy: -0.012
local terms energy: -82.376501
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -23.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -241.997562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.997562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.997562 (E_RNA)
where:
Base-Base interactions energy: -169.496
where: short stacking energy: -79.015
Base-Backbone interact. energy: -0.331
local terms energy: -72.170741
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -233.755742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.755742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.755742 (E_RNA)
where:
Base-Base interactions energy: -163.473
where: short stacking energy: -83.561
Base-Backbone interact. energy: -0.665
local terms energy: -69.617818
where:
bonds (distance) C4'-P energy: -7.762
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -193.529468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.529468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.529468 (E_RNA)
where:
Base-Base interactions energy: -133.214
where: short stacking energy: -73.009
Base-Backbone interact. energy: 0.311
local terms energy: -60.626558
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -1.948
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -217.052671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.052671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.052671 (E_RNA)
where:
Base-Base interactions energy: -157.631
where: short stacking energy: -80.063
Base-Backbone interact. energy: -0.137
local terms energy: -59.284877
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -4.924
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -22.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -180.743105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.743105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.743105 (E_RNA)
where:
Base-Base interactions energy: -119.028
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.137
local terms energy: -61.578516
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -10.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -317.766429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.766429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.766429 (E_RNA)
where:
Base-Base interactions energy: -230.732
where: short stacking energy: -103.889
Base-Backbone interact. energy: -0.005
local terms energy: -87.029724
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -25.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -321.001598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.001598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.001598 (E_RNA)
where:
Base-Base interactions energy: -236.449
where: short stacking energy: -103.689
Base-Backbone interact. energy: -0.002
local terms energy: -84.550144
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -24.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -306.581286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.581286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.581286 (E_RNA)
where:
Base-Base interactions energy: -213.813
where: short stacking energy: -93.440
Base-Backbone interact. energy: -0.375
local terms energy: -92.393318
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -25.752
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: 4, replica: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -299.056501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.056501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.056501 (E_RNA)
where:
Base-Base interactions energy: -218.600
where: short stacking energy: -91.124
Base-Backbone interact. energy: -0.155
local terms energy: -80.301155
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -23.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -299.082684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.082684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.082684 (E_RNA)
where:
Base-Base interactions energy: -218.599
where: short stacking energy: -99.577
Base-Backbone interact. energy: -0.002
local terms energy: -80.481186
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -22.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -236.008391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.008391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.008391 (E_RNA)
where:
Base-Base interactions energy: -160.821
where: short stacking energy: -72.061
Base-Backbone interact. energy: -1.016
local terms energy: -74.170701
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -238.918442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.918442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.918442 (E_RNA)
where:
Base-Base interactions energy: -163.903
where: short stacking energy: -77.965
Base-Backbone interact. energy: -0.004
local terms energy: -75.011840
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -222.984659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.984659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.984659 (E_RNA)
where:
Base-Base interactions energy: -156.624
where: short stacking energy: -79.659
Base-Backbone interact. energy: -0.170
local terms energy: -66.190153
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -12.517
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: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -207.242465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.242465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.242465 (E_RNA)
where:
Base-Base interactions energy: -132.955
where: short stacking energy: -77.917
Base-Backbone interact. energy: -0.107
local terms energy: -74.180455
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -163.031889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.031889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.031889 (E_RNA)
where:
Base-Base interactions energy: -105.271
where: short stacking energy: -45.901
Base-Backbone interact. energy: -0.302
local terms energy: -57.459020
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -3.173
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: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -319.345240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.345240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.345240 (E_RNA)
where:
Base-Base interactions energy: -227.554
where: short stacking energy: -97.642
Base-Backbone interact. energy: -0.223
local terms energy: -91.568178
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -25.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -313.798160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.798160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.798160 (E_RNA)
where:
Base-Base interactions energy: -223.354
where: short stacking energy: -98.675
Base-Backbone interact. energy: 0.003
local terms energy: -90.446905
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -24.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -311.140137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.140137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.140137 (E_RNA)
where:
Base-Base interactions energy: -219.794
where: short stacking energy: -92.557
Base-Backbone interact. energy: -0.088
local terms energy: -91.258778
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -26.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -307.379451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.379451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.379451 (E_RNA)
where:
Base-Base interactions energy: -223.156
where: short stacking energy: -90.869
Base-Backbone interact. energy: -0.133
local terms energy: -84.090417
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -22.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -292.452057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.452057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.452057 (E_RNA)
where:
Base-Base interactions energy: -213.753
where: short stacking energy: -97.415
Base-Backbone interact. energy: -0.003
local terms energy: -78.695579
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -25.587
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: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -245.522672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.522672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.522672 (E_RNA)
where:
Base-Base interactions energy: -166.843
where: short stacking energy: -79.479
Base-Backbone interact. energy: -2.021
local terms energy: -76.658582
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -15.501
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: 2
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -249.234007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.234007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.234007 (E_RNA)
where:
Base-Base interactions energy: -168.575
where: short stacking energy: -87.383
Base-Backbone interact. energy: -0.511
local terms energy: -80.147694
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -22.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -220.945906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.945906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.945906 (E_RNA)
where:
Base-Base interactions energy: -145.258
where: short stacking energy: -71.417
Base-Backbone interact. energy: -0.299
local terms energy: -75.389000
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -206.779239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.779239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.779239 (E_RNA)
where:
Base-Base interactions energy: -132.356
where: short stacking energy: -76.871
Base-Backbone interact. energy: -0.008
local terms energy: -74.415587
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -19.853
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -18.478
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: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -170.692984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.692984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.692984 (E_RNA)
where:
Base-Base interactions energy: -116.130
where: short stacking energy: -42.193
Base-Backbone interact. energy: -0.195
local terms energy: -54.368206
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -6.088
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: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -311.959763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.959763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.959763 (E_RNA)
where:
Base-Base interactions energy: -220.639
where: short stacking energy: -104.922
Base-Backbone interact. energy: -0.149
local terms energy: -91.172017
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -25.199
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: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -323.220823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.220823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.220823 (E_RNA)
where:
Base-Base interactions energy: -234.808
where: short stacking energy: -102.698
Base-Backbone interact. energy: -0.019
local terms energy: -88.393910
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -25.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -301.267186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.267186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.267186 (E_RNA)
where:
Base-Base interactions energy: -217.379
where: short stacking energy: -103.572
Base-Backbone interact. energy: -0.041
local terms energy: -83.846304
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -23.883
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: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -305.510941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.510941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.510941 (E_RNA)
where:
Base-Base interactions energy: -219.057
where: short stacking energy: -102.277
Base-Backbone interact. energy: -0.007
local terms energy: -86.446870
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -23.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -301.688541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.688541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.688541 (E_RNA)
where:
Base-Base interactions energy: -221.995
where: short stacking energy: -98.534
Base-Backbone interact. energy: -0.001
local terms energy: -79.692265
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -24.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -234.169421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.169421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.169421 (E_RNA)
where:
Base-Base interactions energy: -152.065
where: short stacking energy: -71.822
Base-Backbone interact. energy: -0.085
local terms energy: -82.019699
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -22.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -248.883742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.883742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.883742 (E_RNA)
where:
Base-Base interactions energy: -169.092
where: short stacking energy: -93.013
Base-Backbone interact. energy: -2.201
local terms energy: -77.590358
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -22.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -198.392636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.392636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.392636 (E_RNA)
where:
Base-Base interactions energy: -120.877
where: short stacking energy: -62.217
Base-Backbone interact. energy: -0.826
local terms energy: -76.690266
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -201.925900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.925900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.925900 (E_RNA)
where:
Base-Base interactions energy: -136.189
where: short stacking energy: -62.981
Base-Backbone interact. energy: 0.998
local terms energy: -66.734635
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -9.163
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -200.695137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.695137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.695137 (E_RNA)
where:
Base-Base interactions energy: -135.517
where: short stacking energy: -58.835
Base-Backbone interact. energy: 0.006
local terms energy: -65.184229
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -313.275874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.275874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.275874 (E_RNA)
where:
Base-Base interactions energy: -229.507
where: short stacking energy: -103.432
Base-Backbone interact. energy: -0.018
local terms energy: -83.750730
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -24.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -306.647994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.647994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.647994 (E_RNA)
where:
Base-Base interactions energy: -220.625
where: short stacking energy: -104.084
Base-Backbone interact. energy: -0.000
local terms energy: -86.022821
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -24.649
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: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -294.756921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.756921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.756921 (E_RNA)
where:
Base-Base interactions energy: -206.227
where: short stacking energy: -95.243
Base-Backbone interact. energy: -0.773
local terms energy: -87.756430
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -308.686670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.686670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.686670 (E_RNA)
where:
Base-Base interactions energy: -223.912
where: short stacking energy: -97.753
Base-Backbone interact. energy: -0.004
local terms energy: -84.770292
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -25.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -305.945945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.945945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.945945 (E_RNA)
where:
Base-Base interactions energy: -218.509
where: short stacking energy: -99.701
Base-Backbone interact. energy: -0.028
local terms energy: -87.409295
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -26.101
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: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -219.459628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.459628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.459628 (E_RNA)
where:
Base-Base interactions energy: -148.958
where: short stacking energy: -63.594
Base-Backbone interact. energy: -0.376
local terms energy: -70.125380
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -241.772009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.772009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.772009 (E_RNA)
where:
Base-Base interactions energy: -165.421
where: short stacking energy: -85.865
Base-Backbone interact. energy: -0.050
local terms energy: -76.301266
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -19.411
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: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -215.773360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.773360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.773360 (E_RNA)
where:
Base-Base interactions energy: -140.707
where: short stacking energy: -75.013
Base-Backbone interact. energy: -0.061
local terms energy: -75.005894
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -192.391347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.391347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.391347 (E_RNA)
where:
Base-Base interactions energy: -133.952
where: short stacking energy: -74.852
Base-Backbone interact. energy: -0.058
local terms energy: -58.381289
where:
bonds (distance) C4'-P energy: -7.271
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -12.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -186.886685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.886685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.886685 (E_RNA)
where:
Base-Base interactions energy: -123.379
where: short stacking energy: -62.303
Base-Backbone interact. energy: -0.076
local terms energy: -63.431633
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -3.666
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: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -312.217958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.217958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.217958 (E_RNA)
where:
Base-Base interactions energy: -229.368
where: short stacking energy: -90.489
Base-Backbone interact. energy: -0.360
local terms energy: -82.489767
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -304.089161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.089161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.089161 (E_RNA)
where:
Base-Base interactions energy: -213.489
where: short stacking energy: -87.627
Base-Backbone interact. energy: 1.191
local terms energy: -91.791058
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -24.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -299.967618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.967618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.967618 (E_RNA)
where:
Base-Base interactions energy: -215.067
where: short stacking energy: -96.048
Base-Backbone interact. energy: -0.049
local terms energy: -84.851035
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -311.813695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.813695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.813695 (E_RNA)
where:
Base-Base interactions energy: -229.041
where: short stacking energy: -103.459
Base-Backbone interact. energy: -0.211
local terms energy: -82.562466
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -26.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -292.643332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.643332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.643332 (E_RNA)
where:
Base-Base interactions energy: -212.331
where: short stacking energy: -91.032
Base-Backbone interact. energy: -0.412
local terms energy: -79.900454
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -25.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -242.515155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.515155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.515155 (E_RNA)
where:
Base-Base interactions energy: -160.011
where: short stacking energy: -80.137
Base-Backbone interact. energy: -0.126
local terms energy: -82.378695
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -19.537
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: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -249.190795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.190795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.190795 (E_RNA)
where:
Base-Base interactions energy: -165.726
where: short stacking energy: -85.536
Base-Backbone interact. energy: -0.994
local terms energy: -82.470956
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -246.259209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.259209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.259209 (E_RNA)
where:
Base-Base interactions energy: -173.752
where: short stacking energy: -88.831
Base-Backbone interact. energy: 0.105
local terms energy: -72.613104
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -206.398172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.398172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.398172 (E_RNA)
where:
Base-Base interactions energy: -133.189
where: short stacking energy: -80.507
Base-Backbone interact. energy: -0.361
local terms energy: -72.848349
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -202.385055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.385055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.385055 (E_RNA)
where:
Base-Base interactions energy: -138.187
where: short stacking energy: -75.568
Base-Backbone interact. energy: -0.333
local terms energy: -63.864515
where:
bonds (distance) C4'-P energy: -6.819
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -314.256255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.256255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.256255 (E_RNA)
where:
Base-Base interactions energy: -224.039
where: short stacking energy: -95.527
Base-Backbone interact. energy: -0.000
local terms energy: -90.216638
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -22.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -314.507565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.507565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.507565 (E_RNA)
where:
Base-Base interactions energy: -227.187
where: short stacking energy: -100.690
Base-Backbone interact. energy: -0.001
local terms energy: -87.318909
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -25.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -294.837172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.837172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.837172 (E_RNA)
where:
Base-Base interactions energy: -208.031
where: short stacking energy: -92.490
Base-Backbone interact. energy: -0.001
local terms energy: -86.805064
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -22.698
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: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -303.918686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.918686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.918686 (E_RNA)
where:
Base-Base interactions energy: -215.065
where: short stacking energy: -103.225
Base-Backbone interact. energy: -0.001
local terms energy: -88.852368
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -26.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -295.574030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.574030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.574030 (E_RNA)
where:
Base-Base interactions energy: -215.131
where: short stacking energy: -94.276
Base-Backbone interact. energy: -0.546
local terms energy: -79.897092
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -236.074359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.074359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.074359 (E_RNA)
where:
Base-Base interactions energy: -154.919
where: short stacking energy: -79.730
Base-Backbone interact. energy: -1.632
local terms energy: -79.523303
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -247.270005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.270005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.270005 (E_RNA)
where:
Base-Base interactions energy: -169.033
where: short stacking energy: -80.652
Base-Backbone interact. energy: -0.133
local terms energy: -78.103568
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -235.306677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.306677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.306677 (E_RNA)
where:
Base-Base interactions energy: -159.657
where: short stacking energy: -76.155
Base-Backbone interact. energy: -0.612
local terms energy: -75.037956
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -220.045861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.045861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.045861 (E_RNA)
where:
Base-Base interactions energy: -150.390
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.226
local terms energy: -69.430237
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -15.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -215.940264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.940264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.940264 (E_RNA)
where:
Base-Base interactions energy: -143.796
where: short stacking energy: -73.273
Base-Backbone interact. energy: -0.828
local terms energy: -71.316022
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -313.436979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.436979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.436979 (E_RNA)
where:
Base-Base interactions energy: -227.556
where: short stacking energy: -101.189
Base-Backbone interact. energy: -0.219
local terms energy: -85.661478
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -24.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -304.978962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.978962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.978962 (E_RNA)
where:
Base-Base interactions energy: -221.013
where: short stacking energy: -96.713
Base-Backbone interact. energy: -0.040
local terms energy: -83.925897
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -312.415158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.415158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.415158 (E_RNA)
where:
Base-Base interactions energy: -226.679
where: short stacking energy: -102.739
Base-Backbone interact. energy: -0.002
local terms energy: -85.733644
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -24.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -296.236095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.236095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.236095 (E_RNA)
where:
Base-Base interactions energy: -207.657
where: short stacking energy: -93.097
Base-Backbone interact. energy: 1.615
local terms energy: -90.194631
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -26.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -310.863355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.863355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.863355 (E_RNA)
where:
Base-Base interactions energy: -217.240
where: short stacking energy: -101.817
Base-Backbone interact. energy: -0.615
local terms energy: -93.008515
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -25.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -253.083005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.083005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.083005 (E_RNA)
where:
Base-Base interactions energy: -181.365
where: short stacking energy: -77.416
Base-Backbone interact. energy: -0.172
local terms energy: -71.545929
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -230.787469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.787469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.787469 (E_RNA)
where:
Base-Base interactions energy: -162.766
where: short stacking energy: -86.121
Base-Backbone interact. energy: -0.017
local terms energy: -68.004856
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -207.345183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.345183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.345183 (E_RNA)
where:
Base-Base interactions energy: -139.935
where: short stacking energy: -64.280
Base-Backbone interact. energy: -0.124
local terms energy: -67.285602
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -11.753
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: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -194.836172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.836172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.836172 (E_RNA)
where:
Base-Base interactions energy: -127.180
where: short stacking energy: -68.324
Base-Backbone interact. energy: 0.060
local terms energy: -67.716652
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -189.664143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.664143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.664143 (E_RNA)
where:
Base-Base interactions energy: -134.728
where: short stacking energy: -56.997
Base-Backbone interact. energy: 0.034
local terms energy: -54.970479
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -314.683060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.683060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.683060 (E_RNA)
where:
Base-Base interactions energy: -222.336
where: short stacking energy: -92.894
Base-Backbone interact. energy: -0.069
local terms energy: -92.277475
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -23.667
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: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -296.293071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.293071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.293071 (E_RNA)
where:
Base-Base interactions energy: -214.196
where: short stacking energy: -105.952
Base-Backbone interact. energy: -0.414
local terms energy: -81.683830
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -26.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -310.185638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.185638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.185638 (E_RNA)
where:
Base-Base interactions energy: -225.240
where: short stacking energy: -96.661
Base-Backbone interact. energy: -0.594
local terms energy: -84.351859
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -24.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -303.184120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.184120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.184120 (E_RNA)
where:
Base-Base interactions energy: -212.920
where: short stacking energy: -97.590
Base-Backbone interact. energy: -0.335
local terms energy: -89.929150
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -24.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -293.794232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.794232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.794232 (E_RNA)
where:
Base-Base interactions energy: -211.394
where: short stacking energy: -99.468
Base-Backbone interact. energy: -0.016
local terms energy: -82.384306
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -24.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -244.588591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.588591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.588591 (E_RNA)
where:
Base-Base interactions energy: -164.071
where: short stacking energy: -79.646
Base-Backbone interact. energy: -0.078
local terms energy: -80.440097
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -11.294
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: 7, replica: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -234.436055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.436055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.436055 (E_RNA)
where:
Base-Base interactions energy: -154.857
where: short stacking energy: -85.144
Base-Backbone interact. energy: -0.033
local terms energy: -79.546293
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -20.729
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: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -209.015503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.015503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.015503 (E_RNA)
where:
Base-Base interactions energy: -140.933
where: short stacking energy: -63.100
Base-Backbone interact. energy: 0.135
local terms energy: -68.217504
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -14.304
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: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -213.907810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.907810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.907810 (E_RNA)
where:
Base-Base interactions energy: -145.142
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.395
local terms energy: -68.370887
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -7.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -164.561087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.561087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.561087 (E_RNA)
where:
Base-Base interactions energy: -112.978
where: short stacking energy: -52.740
Base-Backbone interact. energy: 2.206
local terms energy: -53.788491
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -318.381842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.381842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.381842 (E_RNA)
where:
Base-Base interactions energy: -223.782
where: short stacking energy: -101.922
Base-Backbone interact. energy: -0.449
local terms energy: -94.150305
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -25.490
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: 469
Temperature: 0.950000
Total energy: -317.751151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.751151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.751151 (E_RNA)
where:
Base-Base interactions energy: -222.047
where: short stacking energy: -102.767
Base-Backbone interact. energy: -0.001
local terms energy: -95.703009
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -25.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -300.690821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.690821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.690821 (E_RNA)
where:
Base-Base interactions energy: -214.590
where: short stacking energy: -101.710
Base-Backbone interact. energy: -0.150
local terms energy: -85.950642
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -26.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -297.112832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.112832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.112832 (E_RNA)
where:
Base-Base interactions energy: -217.279
where: short stacking energy: -91.615
Base-Backbone interact. energy: -0.739
local terms energy: -79.094989
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -25.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -300.779595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.779595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.779595 (E_RNA)
where:
Base-Base interactions energy: -219.018
where: short stacking energy: -93.313
Base-Backbone interact. energy: -0.079
local terms energy: -81.683117
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -22.224
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: 6, replica: 2
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -245.735966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.735966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.735966 (E_RNA)
where:
Base-Base interactions energy: -166.833
where: short stacking energy: -79.181
Base-Backbone interact. energy: -0.967
local terms energy: -77.935785
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -239.468419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.468419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.468419 (E_RNA)
where:
Base-Base interactions energy: -170.014
where: short stacking energy: -79.991
Base-Backbone interact. energy: -0.060
local terms energy: -69.393687
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -12.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -215.921791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.921791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.921791 (E_RNA)
where:
Base-Base interactions energy: -146.663
where: short stacking energy: -82.663
Base-Backbone interact. energy: -0.112
local terms energy: -69.146757
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -16.702
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: 9, replica: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -197.556962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.556962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.556962 (E_RNA)
where:
Base-Base interactions energy: -127.117
where: short stacking energy: -68.022
Base-Backbone interact. energy: -0.054
local terms energy: -70.385569
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -10.031
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: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -187.790420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.790420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.790420 (E_RNA)
where:
Base-Base interactions energy: -128.345
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.574
local terms energy: -58.870844
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -7.555
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: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -313.330746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.330746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.330746 (E_RNA)
where:
Base-Base interactions energy: -222.999
where: short stacking energy: -96.376
Base-Backbone interact. energy: -0.070
local terms energy: -90.261948
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -23.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -320.548498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.548498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.548498 (E_RNA)
where:
Base-Base interactions energy: -238.309
where: short stacking energy: -95.658
Base-Backbone interact. energy: -0.033
local terms energy: -82.206577
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -294.652818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.652818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.652818 (E_RNA)
where:
Base-Base interactions energy: -207.297
where: short stacking energy: -108.018
Base-Backbone interact. energy: -0.003
local terms energy: -87.352270
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -301.280887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.280887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.280887 (E_RNA)
where:
Base-Base interactions energy: -213.560
where: short stacking energy: -101.979
Base-Backbone interact. energy: -0.004
local terms energy: -87.717346
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -24.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -291.749753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.749753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.749753 (E_RNA)
where:
Base-Base interactions energy: -212.519
where: short stacking energy: -98.350
Base-Backbone interact. energy: -0.003
local terms energy: -79.227901
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -22.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -238.673920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.673920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.673920 (E_RNA)
where:
Base-Base interactions energy: -159.031
where: short stacking energy: -80.159
Base-Backbone interact. energy: -0.141
local terms energy: -79.500991
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -16.648
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: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -238.579233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.579233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.579233 (E_RNA)
where:
Base-Base interactions energy: -170.424
where: short stacking energy: -83.478
Base-Backbone interact. energy: -0.107
local terms energy: -68.049008
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -10.723
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -196.560603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.560603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.560603 (E_RNA)
where:
Base-Base interactions energy: -130.682
where: short stacking energy: -55.586
Base-Backbone interact. energy: -0.264
local terms energy: -65.615062
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -187.278892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.278892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.278892 (E_RNA)
where:
Base-Base interactions energy: -121.565
where: short stacking energy: -54.347
Base-Backbone interact. energy: -0.137
local terms energy: -65.576340
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -209.238080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.238080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.238080 (E_RNA)
where:
Base-Base interactions energy: -135.447
where: short stacking energy: -73.336
Base-Backbone interact. energy: -0.381
local terms energy: -73.409283
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -317.263196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.263196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.263196 (E_RNA)
where:
Base-Base interactions energy: -222.725
where: short stacking energy: -104.442
Base-Backbone interact. energy: -0.016
local terms energy: -94.521728
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -24.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -322.567053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.567053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.567053 (E_RNA)
where:
Base-Base interactions energy: -243.581
where: short stacking energy: -97.755
Base-Backbone interact. energy: -0.002
local terms energy: -78.984071
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -3.780
tors. eta vs tors. theta energy: -25.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -297.590726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.590726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.590726 (E_RNA)
where:
Base-Base interactions energy: -199.437
where: short stacking energy: -107.544
Base-Backbone interact. energy: -0.001
local terms energy: -98.153297
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -26.334
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: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -307.362889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.362889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.362889 (E_RNA)
where:
Base-Base interactions energy: -222.292
where: short stacking energy: -98.276
Base-Backbone interact. energy: -0.006
local terms energy: -85.064703
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -24.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -291.451267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.451267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.451267 (E_RNA)
where:
Base-Base interactions energy: -204.500
where: short stacking energy: -90.809
Base-Backbone interact. energy: -0.053
local terms energy: -86.898115
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -23.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -248.915766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.915766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.915766 (E_RNA)
where:
Base-Base interactions energy: -170.316
where: short stacking energy: -71.922
Base-Backbone interact. energy: -0.324
local terms energy: -78.275286
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -238.506910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.506910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.506910 (E_RNA)
where:
Base-Base interactions energy: -169.475
where: short stacking energy: -87.257
Base-Backbone interact. energy: -0.152
local terms energy: -68.879566
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -225.257240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.257240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.257240 (E_RNA)
where:
Base-Base interactions energy: -147.221
where: short stacking energy: -75.995
Base-Backbone interact. energy: 0.047
local terms energy: -78.083922
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -189.430257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.430257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.430257 (E_RNA)
where:
Base-Base interactions energy: -127.890
where: short stacking energy: -71.241
Base-Backbone interact. energy: -0.039
local terms energy: -61.501382
where:
bonds (distance) C4'-P energy: -8.420
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -9.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -196.349000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.349000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.349000 (E_RNA)
where:
Base-Base interactions energy: -132.713
where: short stacking energy: -56.600
Base-Backbone interact. energy: -0.446
local terms energy: -63.189775
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -8.666
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -14.388
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: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -328.811935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.811935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.811935 (E_RNA)
where:
Base-Base interactions energy: -239.226
where: short stacking energy: -105.020
Base-Backbone interact. energy: -0.353
local terms energy: -89.232954
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -25.598
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: 472
Temperature: 0.950000
Total energy: -318.216100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.216100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.216100 (E_RNA)
where:
Base-Base interactions energy: -235.216
where: short stacking energy: -98.458
Base-Backbone interact. energy: -0.005
local terms energy: -82.995112
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -26.020
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: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -307.473039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.473039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.473039 (E_RNA)
where:
Base-Base interactions energy: -217.944
where: short stacking energy: -98.854
Base-Backbone interact. energy: -0.006
local terms energy: -89.522941
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -23.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -289.055947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.055947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.055947 (E_RNA)
where:
Base-Base interactions energy: -205.478
where: short stacking energy: -99.793
Base-Backbone interact. energy: -0.123
local terms energy: -83.455181
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -22.112
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: 472
Temperature: 1.100000
Total energy: -296.165880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.165880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.165880 (E_RNA)
where:
Base-Base interactions energy: -212.744
where: short stacking energy: -100.612
Base-Backbone interact. energy: 0.440
local terms energy: -83.861764
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -24.781
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: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -248.656583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.656583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.656583 (E_RNA)
where:
Base-Base interactions energy: -165.851
where: short stacking energy: -85.478
Base-Backbone interact. energy: -1.092
local terms energy: -81.714210
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -11.302
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: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -236.742914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.742914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.742914 (E_RNA)
where:
Base-Base interactions energy: -161.242
where: short stacking energy: -83.673
Base-Backbone interact. energy: -1.050
local terms energy: -74.450564
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -216.448941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.448941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.448941 (E_RNA)
where:
Base-Base interactions energy: -152.149
where: short stacking energy: -66.257
Base-Backbone interact. energy: -0.059
local terms energy: -64.241169
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -202.347060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.347060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.347060 (E_RNA)
where:
Base-Base interactions energy: -130.269
where: short stacking energy: -55.166
Base-Backbone interact. energy: -0.682
local terms energy: -71.396118
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -13.224
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: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -152.750389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.750389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.750389 (E_RNA)
where:
Base-Base interactions energy: -86.165
where: short stacking energy: -50.985
Base-Backbone interact. energy: -0.074
local terms energy: -66.511242
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -10.460
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: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -332.699711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.699711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.699711 (E_RNA)
where:
Base-Base interactions energy: -243.773
where: short stacking energy: -103.264
Base-Backbone interact. energy: -0.007
local terms energy: -88.919357
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -25.672
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: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -308.835203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.835203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.835203 (E_RNA)
where:
Base-Base interactions energy: -218.447
where: short stacking energy: -97.505
Base-Backbone interact. energy: -0.089
local terms energy: -90.298358
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -22.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -307.450374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.450374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.450374 (E_RNA)
where:
Base-Base interactions energy: -218.069
where: short stacking energy: -102.738
Base-Backbone interact. energy: -0.001
local terms energy: -89.381253
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -22.112
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: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -302.856967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.856967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.856967 (E_RNA)
where:
Base-Base interactions energy: -216.872
where: short stacking energy: -100.442
Base-Backbone interact. energy: -0.489
local terms energy: -85.496696
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -26.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -286.697066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.697066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.697066 (E_RNA)
where:
Base-Base interactions energy: -205.773
where: short stacking energy: -89.949
Base-Backbone interact. energy: -0.001
local terms energy: -80.922949
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -236.105570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.105570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.105570 (E_RNA)
where:
Base-Base interactions energy: -155.865
where: short stacking energy: -78.766
Base-Backbone interact. energy: -0.533
local terms energy: -79.707100
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -243.016047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.016047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.016047 (E_RNA)
where:
Base-Base interactions energy: -163.174
where: short stacking energy: -79.343
Base-Backbone interact. energy: -0.030
local terms energy: -79.811968
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -17.479
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: 9
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -223.705133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.705133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.705133 (E_RNA)
where:
Base-Base interactions energy: -157.431
where: short stacking energy: -72.095
Base-Backbone interact. energy: -0.669
local terms energy: -65.605507
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -15.357
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: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -188.849861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.849861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.849861 (E_RNA)
where:
Base-Base interactions energy: -125.494
where: short stacking energy: -54.292
Base-Backbone interact. energy: -0.114
local terms energy: -63.242409
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -9.254
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: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -186.999743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.999743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.999743 (E_RNA)
where:
Base-Base interactions energy: -119.940
where: short stacking energy: -64.980
Base-Backbone interact. energy: -0.010
local terms energy: -67.049532
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -11.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -312.654002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.654002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.654002 (E_RNA)
where:
Base-Base interactions energy: -222.048
where: short stacking energy: -100.397
Base-Backbone interact. energy: -0.084
local terms energy: -90.522082
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -325.950572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.950572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.950572 (E_RNA)
where:
Base-Base interactions energy: -235.452
where: short stacking energy: -108.034
Base-Backbone interact. energy: -0.007
local terms energy: -90.491271
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -25.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -308.781537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.781537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.781537 (E_RNA)
where:
Base-Base interactions energy: -216.767
where: short stacking energy: -104.374
Base-Backbone interact. energy: 0.700
local terms energy: -92.714559
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -25.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -296.318269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.318269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.318269 (E_RNA)
where:
Base-Base interactions energy: -215.494
where: short stacking energy: -92.649
Base-Backbone interact. energy: -0.019
local terms energy: -80.805597
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -23.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -290.416569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.416569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.416569 (E_RNA)
where:
Base-Base interactions energy: -217.383
where: short stacking energy: -89.775
Base-Backbone interact. energy: -0.046
local terms energy: -72.988395
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -252.739925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.739925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.739925 (E_RNA)
where:
Base-Base interactions energy: -166.536
where: short stacking energy: -85.564
Base-Backbone interact. energy: -0.158
local terms energy: -86.046220
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -21.079
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: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -236.779339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.779339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.779339 (E_RNA)
where:
Base-Base interactions energy: -161.419
where: short stacking energy: -87.799
Base-Backbone interact. energy: -0.960
local terms energy: -74.400071
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -13.826
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: 8, replica: 9
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -203.790088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.790088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.790088 (E_RNA)
where:
Base-Base interactions energy: -128.656
where: short stacking energy: -67.592
Base-Backbone interact. energy: -0.019
local terms energy: -75.114638
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -15.400
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: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -204.829595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.829595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.829595 (E_RNA)
where:
Base-Base interactions energy: -133.574
where: short stacking energy: -56.855
Base-Backbone interact. energy: -0.142
local terms energy: -71.113547
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -11.813
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: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -194.643788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.643788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.643788 (E_RNA)
where:
Base-Base interactions energy: -127.257
where: short stacking energy: -63.939
Base-Backbone interact. energy: 0.819
local terms energy: -68.205420
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -13.202
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: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -318.742168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.742168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.742168 (E_RNA)
where:
Base-Base interactions energy: -243.492
where: short stacking energy: -103.413
Base-Backbone interact. energy: -0.003
local terms energy: -75.247587
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -24.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -311.934137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.934137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.934137 (E_RNA)
where:
Base-Base interactions energy: -219.725
where: short stacking energy: -104.989
Base-Backbone interact. energy: 0.301
local terms energy: -92.509902
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -24.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -315.101683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.101683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.101683 (E_RNA)
where:
Base-Base interactions energy: -230.145
where: short stacking energy: -96.922
Base-Backbone interact. energy: -0.011
local terms energy: -84.945192
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -23.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -311.091398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.091398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.091398 (E_RNA)
where:
Base-Base interactions energy: -220.178
where: short stacking energy: -92.553
Base-Backbone interact. energy: -0.221
local terms energy: -90.692044
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -24.781
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: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -290.661365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.661365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.661365 (E_RNA)
where:
Base-Base interactions energy: -208.277
where: short stacking energy: -104.766
Base-Backbone interact. energy: -0.052
local terms energy: -82.331646
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -19.326
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -26.085
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: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -254.859805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.859805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.859805 (E_RNA)
where:
Base-Base interactions energy: -171.237
where: short stacking energy: -91.765
Base-Backbone interact. energy: -0.524
local terms energy: -83.098568
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -25.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -241.465787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.465787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.465787 (E_RNA)
where:
Base-Base interactions energy: -167.129
where: short stacking energy: -87.089
Base-Backbone interact. energy: 2.127
local terms energy: -76.463778
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -10.734
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: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -229.810780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.810780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.810780 (E_RNA)
where:
Base-Base interactions energy: -163.276
where: short stacking energy: -62.319
Base-Backbone interact. energy: -0.564
local terms energy: -65.970057
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -193.314140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.314140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.314140 (E_RNA)
where:
Base-Base interactions energy: -140.608
where: short stacking energy: -69.389
Base-Backbone interact. energy: 3.175
local terms energy: -55.881032
where:
bonds (distance) C4'-P energy: -6.457
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -198.933732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.933732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.933732 (E_RNA)
where:
Base-Base interactions energy: -124.834
where: short stacking energy: -64.283
Base-Backbone interact. energy: -0.281
local terms energy: -73.818405
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -16.865
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: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -315.351643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.351643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.351643 (E_RNA)
where:
Base-Base interactions energy: -225.477
where: short stacking energy: -102.679
Base-Backbone interact. energy: -0.425
local terms energy: -89.449453
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -26.048
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: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -312.813606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.813606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.813606 (E_RNA)
where:
Base-Base interactions energy: -225.672
where: short stacking energy: -95.119
Base-Backbone interact. energy: -0.072
local terms energy: -87.068991
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -25.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -306.907663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.907663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.907663 (E_RNA)
where:
Base-Base interactions energy: -221.937
where: short stacking energy: -94.136
Base-Backbone interact. energy: -0.120
local terms energy: -84.851043
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -23.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -308.060097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.060097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.060097 (E_RNA)
where:
Base-Base interactions energy: -229.874
where: short stacking energy: -99.450
Base-Backbone interact. energy: -0.139
local terms energy: -78.046372
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -8.716
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -23.920
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: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -250.672253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.672253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.672253 (E_RNA)
where:
Base-Base interactions energy: -177.669
where: short stacking energy: -74.512
Base-Backbone interact. energy: 0.336
local terms energy: -73.339267
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -8.800
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: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -286.879014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.879014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.879014 (E_RNA)
where:
Base-Base interactions energy: -202.044
where: short stacking energy: -99.628
Base-Backbone interact. energy: -0.038
local terms energy: -84.797334
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -236.311629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.311629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.311629 (E_RNA)
where:
Base-Base interactions energy: -160.722
where: short stacking energy: -82.942
Base-Backbone interact. energy: 0.861
local terms energy: -76.450127
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -7.180
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: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -222.008171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.008171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.008171 (E_RNA)
where:
Base-Base interactions energy: -151.891
where: short stacking energy: -71.127
Base-Backbone interact. energy: -0.466
local terms energy: -69.651542
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -16.155
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: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -194.926796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.926796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.926796 (E_RNA)
where:
Base-Base interactions energy: -119.247
where: short stacking energy: -67.075
Base-Backbone interact. energy: -0.430
local terms energy: -75.250301
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -191.603850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.603850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.603850 (E_RNA)
where:
Base-Base interactions energy: -120.356
where: short stacking energy: -65.856
Base-Backbone interact. energy: -0.002
local terms energy: -71.246361
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -11.532
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: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -311.838866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.838866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.838866 (E_RNA)
where:
Base-Base interactions energy: -224.529
where: short stacking energy: -107.362
Base-Backbone interact. energy: -0.011
local terms energy: -87.299004
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -24.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -309.373907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.373907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.373907 (E_RNA)
where:
Base-Base interactions energy: -225.565
where: short stacking energy: -79.858
Base-Backbone interact. energy: -0.307
local terms energy: -83.501712
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -22.406
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: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -299.970872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.970872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.970872 (E_RNA)
where:
Base-Base interactions energy: -209.477
where: short stacking energy: -99.089
Base-Backbone interact. energy: -0.420
local terms energy: -90.073557
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -25.027
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: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -306.877232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.877232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.877232 (E_RNA)
where:
Base-Base interactions energy: -222.258
where: short stacking energy: -101.364
Base-Backbone interact. energy: -0.002
local terms energy: -84.617122
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -259.825270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.825270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.825270 (E_RNA)
where:
Base-Base interactions energy: -179.534
where: short stacking energy: -99.723
Base-Backbone interact. energy: -0.681
local terms energy: -79.609892
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -24.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -238.603031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.603031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.603031 (E_RNA)
where:
Base-Base interactions energy: -156.567
where: short stacking energy: -79.159
Base-Backbone interact. energy: -0.159
local terms energy: -81.876614
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -285.140420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.140420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.140420 (E_RNA)
where:
Base-Base interactions energy: -211.603
where: short stacking energy: -87.032
Base-Backbone interact. energy: -0.004
local terms energy: -73.533642
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -24.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -210.196657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.196657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.196657 (E_RNA)
where:
Base-Base interactions energy: -143.768
where: short stacking energy: -76.838
Base-Backbone interact. energy: -0.190
local terms energy: -66.237919
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -211.074865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.074865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.074865 (E_RNA)
where:
Base-Base interactions energy: -147.890
where: short stacking energy: -58.468
Base-Backbone interact. energy: -0.528
local terms energy: -62.656150
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -192.975622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.975622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.975622 (E_RNA)
where:
Base-Base interactions energy: -131.272
where: short stacking energy: -54.811
Base-Backbone interact. energy: -0.121
local terms energy: -61.582703
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -6.910
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -14.909
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: 1, replica: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -315.305734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.305734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.305734 (E_RNA)
where:
Base-Base interactions energy: -222.814
where: short stacking energy: -98.883
Base-Backbone interact. energy: -0.059
local terms energy: -92.433237
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -19.921
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -27.140
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: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -309.806253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.806253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.806253 (E_RNA)
where:
Base-Base interactions energy: -223.212
where: short stacking energy: -104.737
Base-Backbone interact. energy: -0.006
local terms energy: -86.588696
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -24.894
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: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -314.045674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.045674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.045674 (E_RNA)
where:
Base-Base interactions energy: -233.807
where: short stacking energy: -100.962
Base-Backbone interact. energy: -0.101
local terms energy: -80.138027
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -26.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -303.165995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.165995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.165995 (E_RNA)
where:
Base-Base interactions energy: -216.736
where: short stacking energy: -98.393
Base-Backbone interact. energy: 0.440
local terms energy: -86.870242
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -23.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -248.934693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.934693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.934693 (E_RNA)
where:
Base-Base interactions energy: -170.542
where: short stacking energy: -86.942
Base-Backbone interact. energy: -1.740
local terms energy: -76.652454
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -238.918014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.918014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.918014 (E_RNA)
where:
Base-Base interactions energy: -161.855
where: short stacking energy: -80.320
Base-Backbone interact. energy: 0.081
local terms energy: -77.144402
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -282.563353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.563353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.563353 (E_RNA)
where:
Base-Base interactions energy: -203.176
where: short stacking energy: -88.965
Base-Backbone interact. energy: -0.408
local terms energy: -78.979511
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -24.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -213.231202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.231202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.231202 (E_RNA)
where:
Base-Base interactions energy: -144.883
where: short stacking energy: -67.604
Base-Backbone interact. energy: -0.037
local terms energy: -68.310949
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -14.706
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: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -190.993949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.993949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.993949 (E_RNA)
where:
Base-Base interactions energy: -121.923
where: short stacking energy: -69.212
Base-Backbone interact. energy: -0.130
local terms energy: -68.941097
where:
bonds (distance) C4'-P energy: -7.458
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -17.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -186.171847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.171847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.171847 (E_RNA)
where:
Base-Base interactions energy: -120.369
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.167
local terms energy: -65.635842
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -316.898671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.898671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.898671 (E_RNA)
where:
Base-Base interactions energy: -227.622
where: short stacking energy: -105.244
Base-Backbone interact. energy: -0.001
local terms energy: -89.275220
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -25.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -312.761962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.761962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.761962 (E_RNA)
where:
Base-Base interactions energy: -223.084
where: short stacking energy: -98.671
Base-Backbone interact. energy: -0.001
local terms energy: -89.677078
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -23.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -309.254431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.254431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.254431 (E_RNA)
where:
Base-Base interactions energy: -226.845
where: short stacking energy: -92.460
Base-Backbone interact. energy: -0.049
local terms energy: -82.361199
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -264.954106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.954106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.954106 (E_RNA)
where:
Base-Base interactions energy: -173.155
where: short stacking energy: -99.444
Base-Backbone interact. energy: -1.110
local terms energy: -90.689167
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -23.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -301.747510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.747510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.747510 (E_RNA)
where:
Base-Base interactions energy: -221.593
where: short stacking energy: -96.190
Base-Backbone interact. energy: -0.097
local terms energy: -80.057558
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -25.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -280.310579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.310579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.310579 (E_RNA)
where:
Base-Base interactions energy: -199.013
where: short stacking energy: -99.050
Base-Backbone interact. energy: -0.001
local terms energy: -81.296999
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -23.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -225.415203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.415203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.415203 (E_RNA)
where:
Base-Base interactions energy: -156.967
where: short stacking energy: -82.344
Base-Backbone interact. energy: -0.907
local terms energy: -67.541609
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -5.637
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -12.526
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: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -196.982032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.982032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.982032 (E_RNA)
where:
Base-Base interactions energy: -128.290
where: short stacking energy: -65.857
Base-Backbone interact. energy: -0.038
local terms energy: -68.654577
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -13.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -196.374564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.374564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.374564 (E_RNA)
where:
Base-Base interactions energy: -141.350
where: short stacking energy: -73.518
Base-Backbone interact. energy: 5.460
local terms energy: -60.484959
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -190.312482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.312482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.312482 (E_RNA)
where:
Base-Base interactions energy: -120.820
where: short stacking energy: -64.919
Base-Backbone interact. energy: -1.057
local terms energy: -68.435754
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -318.383724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.383724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.383724 (E_RNA)
where:
Base-Base interactions energy: -235.652
where: short stacking energy: -106.931
Base-Backbone interact. energy: -0.122
local terms energy: -82.609206
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -316.978867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.978867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.978867 (E_RNA)
where:
Base-Base interactions energy: -228.048
where: short stacking energy: -104.405
Base-Backbone interact. energy: -0.328
local terms energy: -88.602767
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -304.065085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.065085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.065085 (E_RNA)
where:
Base-Base interactions energy: -220.176
where: short stacking energy: -97.207
Base-Backbone interact. energy: -0.143
local terms energy: -83.746942
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -25.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -267.527583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.527583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.527583 (E_RNA)
where:
Base-Base interactions energy: -179.814
where: short stacking energy: -98.181
Base-Backbone interact. energy: 0.664
local terms energy: -88.377472
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -20.257
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: 480
Temperature: 1.100000
Total energy: -284.390696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.390696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.390696 (E_RNA)
where:
Base-Base interactions energy: -208.652
where: short stacking energy: -98.986
Base-Backbone interact. energy: 0.196
local terms energy: -75.934852
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -7.786
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -274.745934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.745934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.745934 (E_RNA)
where:
Base-Base interactions energy: -198.570
where: short stacking energy: -93.348
Base-Backbone interact. energy: -0.030
local terms energy: -76.145804
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -4.115
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -212.889234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.889234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.889234 (E_RNA)
where:
Base-Base interactions energy: -140.032
where: short stacking energy: -65.756
Base-Backbone interact. energy: -0.159
local terms energy: -72.698102
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -14.099
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: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -229.193980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.193980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.193980 (E_RNA)
where:
Base-Base interactions energy: -169.714
where: short stacking energy: -87.095
Base-Backbone interact. energy: -0.664
local terms energy: -58.816549
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -3.384
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: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -206.746562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.746562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.746562 (E_RNA)
where:
Base-Base interactions energy: -141.872
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.493
local terms energy: -64.381131
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -192.394690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.394690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.394690 (E_RNA)
where:
Base-Base interactions energy: -127.030
where: short stacking energy: -68.679
Base-Backbone interact. energy: -0.170
local terms energy: -65.194706
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -12.210
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: 1, replica: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -320.779487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.779487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.779487 (E_RNA)
where:
Base-Base interactions energy: -231.796
where: short stacking energy: -103.906
Base-Backbone interact. energy: -0.573
local terms energy: -88.410555
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -24.817
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: 481
Temperature: 0.950000
Total energy: -306.842047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.842047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.842047 (E_RNA)
where:
Base-Base interactions energy: -219.129
where: short stacking energy: -100.969
Base-Backbone interact. energy: -0.691
local terms energy: -87.021443
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -25.592
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: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -303.257070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.257070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.257070 (E_RNA)
where:
Base-Base interactions energy: -213.135
where: short stacking energy: -94.869
Base-Backbone interact. energy: 0.050
local terms energy: -90.171696
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -14.489
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: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -281.830292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.830292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.830292 (E_RNA)
where:
Base-Base interactions energy: -197.689
where: short stacking energy: -103.611
Base-Backbone interact. energy: -0.000
local terms energy: -84.141471
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -258.203457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.203457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.203457 (E_RNA)
where:
Base-Base interactions energy: -174.332
where: short stacking energy: -92.711
Base-Backbone interact. energy: -0.135
local terms energy: -83.736169
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -23.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -273.661525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.661525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.661525 (E_RNA)
where:
Base-Base interactions energy: -190.887
where: short stacking energy: -90.999
Base-Backbone interact. energy: -0.001
local terms energy: -82.773308
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -23.263
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: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -211.961842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.961842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.961842 (E_RNA)
where:
Base-Base interactions energy: -146.467
where: short stacking energy: -84.827
Base-Backbone interact. energy: -0.090
local terms energy: -65.404720
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -3.750
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: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -233.755706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.755706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.755706 (E_RNA)
where:
Base-Base interactions energy: -159.397
where: short stacking energy: -80.022
Base-Backbone interact. energy: -0.099
local terms energy: -74.259721
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -181.393865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.393865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.393865 (E_RNA)
where:
Base-Base interactions energy: -115.598
where: short stacking energy: -54.252
Base-Backbone interact. energy: -0.012
local terms energy: -65.784033
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -9.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -178.042045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.042045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.042045 (E_RNA)
where:
Base-Base interactions energy: -122.778
where: short stacking energy: -50.058
Base-Backbone interact. energy: -0.581
local terms energy: -54.682554
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -4.742
tors. eta vs tors. theta energy: -8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -313.588477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.588477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.588477 (E_RNA)
where:
Base-Base interactions energy: -221.993
where: short stacking energy: -101.252
Base-Backbone interact. energy: -0.000
local terms energy: -91.595452
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -25.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -307.905623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.905623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.905623 (E_RNA)
where:
Base-Base interactions energy: -221.130
where: short stacking energy: -106.024
Base-Backbone interact. energy: 0.529
local terms energy: -87.305302
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -25.412
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: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -302.809627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.809627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.809627 (E_RNA)
where:
Base-Base interactions energy: -219.373
where: short stacking energy: -102.279
Base-Backbone interact. energy: -0.001
local terms energy: -83.435769
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -23.675
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: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -286.902199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.902199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.902199 (E_RNA)
where:
Base-Base interactions energy: -199.021
where: short stacking energy: -98.983
Base-Backbone interact. energy: -0.040
local terms energy: -87.840797
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -21.974
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: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -284.494531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.494531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.494531 (E_RNA)
where:
Base-Base interactions energy: -202.767
where: short stacking energy: -88.878
Base-Backbone interact. energy: -0.988
local terms energy: -80.739421
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -20.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -249.983973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.983973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.983973 (E_RNA)
where:
Base-Base interactions energy: -184.045
where: short stacking energy: -76.970
Base-Backbone interact. energy: -0.293
local terms energy: -65.645443
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -242.669993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.669993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.669993 (E_RNA)
where:
Base-Base interactions energy: -164.340
where: short stacking energy: -81.954
Base-Backbone interact. energy: -1.528
local terms energy: -76.801692
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -21.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -196.231524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.231524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.231524 (E_RNA)
where:
Base-Base interactions energy: -131.509
where: short stacking energy: -71.677
Base-Backbone interact. energy: -0.116
local terms energy: -64.606807
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -212.692304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.692304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.692304 (E_RNA)
where:
Base-Base interactions energy: -148.685
where: short stacking energy: -68.893
Base-Backbone interact. energy: -0.850
local terms energy: -63.157064
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -8.112
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -19.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -194.596504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.596504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.596504 (E_RNA)
where:
Base-Base interactions energy: -131.480
where: short stacking energy: -62.226
Base-Backbone interact. energy: -0.086
local terms energy: -63.030042
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -13.525
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: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -319.937287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.937287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.937287 (E_RNA)
where:
Base-Base interactions energy: -231.546
where: short stacking energy: -103.136
Base-Backbone interact. energy: -0.083
local terms energy: -88.308035
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -24.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -313.602098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.602098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.602098 (E_RNA)
where:
Base-Base interactions energy: -227.934
where: short stacking energy: -96.411
Base-Backbone interact. energy: 0.654
local terms energy: -86.322581
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -12.484
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: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -308.458162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.458162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.458162 (E_RNA)
where:
Base-Base interactions energy: -216.480
where: short stacking energy: -105.212
Base-Backbone interact. energy: -0.001
local terms energy: -91.977815
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -24.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -286.975286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.975286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.975286 (E_RNA)
where:
Base-Base interactions energy: -205.553
where: short stacking energy: -95.479
Base-Backbone interact. energy: 0.976
local terms energy: -82.397703
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -20.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -269.338129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.338129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.338129 (E_RNA)
where:
Base-Base interactions energy: -185.588
where: short stacking energy: -77.548
Base-Backbone interact. energy: -0.115
local terms energy: -83.635076
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -21.199
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -245.554247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.554247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.554247 (E_RNA)
where:
Base-Base interactions energy: -173.953
where: short stacking energy: -82.056
Base-Backbone interact. energy: -1.344
local terms energy: -70.257038
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -7.377
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: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -232.075368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.075368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.075368 (E_RNA)
where:
Base-Base interactions energy: -167.388
where: short stacking energy: -77.676
Base-Backbone interact. energy: -0.082
local terms energy: -64.605113
where:
bonds (distance) C4'-P energy: -7.972
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -220.009712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.009712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.009712 (E_RNA)
where:
Base-Base interactions energy: -152.484
where: short stacking energy: -68.116
Base-Backbone interact. energy: -0.111
local terms energy: -67.414768
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -15.888
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: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -204.165281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.165281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.165281 (E_RNA)
where:
Base-Base interactions energy: -134.761
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.206
local terms energy: -69.198768
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -8.376
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: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -187.648796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.648796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.648796 (E_RNA)
where:
Base-Base interactions energy: -127.991
where: short stacking energy: -55.222
Base-Backbone interact. energy: -0.256
local terms energy: -59.402337
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -10.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -314.376805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.376805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.376805 (E_RNA)
where:
Base-Base interactions energy: -227.234
where: short stacking energy: -99.182
Base-Backbone interact. energy: -0.162
local terms energy: -86.981026
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -24.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -307.409928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.409928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.409928 (E_RNA)
where:
Base-Base interactions energy: -228.600
where: short stacking energy: -98.908
Base-Backbone interact. energy: -0.077
local terms energy: -78.732814
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -22.150
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: 484
Temperature: 1.000000
Total energy: -287.787340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.787340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.787340 (E_RNA)
where:
Base-Base interactions energy: -206.200
where: short stacking energy: -87.186
Base-Backbone interact. energy: -0.002
local terms energy: -81.584904
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -24.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -299.396183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.396183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.396183 (E_RNA)
where:
Base-Base interactions energy: -211.685
where: short stacking energy: -94.380
Base-Backbone interact. energy: -0.629
local terms energy: -87.081704
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -24.490
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: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -299.781564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.781564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.781564 (E_RNA)
where:
Base-Base interactions energy: -204.067
where: short stacking energy: -105.051
Base-Backbone interact. energy: -0.030
local terms energy: -95.684704
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -25.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -242.923111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.923111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.923111 (E_RNA)
where:
Base-Base interactions energy: -168.396
where: short stacking energy: -81.795
Base-Backbone interact. energy: -0.034
local terms energy: -74.492492
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -223.980984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.980984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.980984 (E_RNA)
where:
Base-Base interactions energy: -152.961
where: short stacking energy: -74.233
Base-Backbone interact. energy: -0.252
local terms energy: -70.767439
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -11.606
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: 8, replica: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -235.998365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.998365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.998365 (E_RNA)
where:
Base-Base interactions energy: -157.637
where: short stacking energy: -70.858
Base-Backbone interact. energy: -0.776
local terms energy: -77.586010
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -208.280355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.280355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.280355 (E_RNA)
where:
Base-Base interactions energy: -148.999
where: short stacking energy: -64.181
Base-Backbone interact. energy: -1.011
local terms energy: -58.269610
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -8.186
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -13.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -185.918881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.918881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.918881 (E_RNA)
where:
Base-Base interactions energy: -122.524
where: short stacking energy: -63.461
Base-Backbone interact. energy: -0.281
local terms energy: -63.114157
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -11.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -322.542696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.542696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.542696 (E_RNA)
where:
Base-Base interactions energy: -238.485
where: short stacking energy: -97.904
Base-Backbone interact. energy: -0.240
local terms energy: -83.817936
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -27.178
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: 485
Temperature: 0.950000
Total energy: -314.852751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.852751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.852751 (E_RNA)
where:
Base-Base interactions energy: -232.768
where: short stacking energy: -98.003
Base-Backbone interact. energy: -0.004
local terms energy: -82.081068
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -25.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -297.110609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.110609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.110609 (E_RNA)
where:
Base-Base interactions energy: -210.882
where: short stacking energy: -99.752
Base-Backbone interact. energy: -1.152
local terms energy: -85.076163
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -23.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -291.915900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.915900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.915900 (E_RNA)
where:
Base-Base interactions energy: -212.790
where: short stacking energy: -87.177
Base-Backbone interact. energy: 0.617
local terms energy: -79.743452
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -25.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -302.261404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.261404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.261404 (E_RNA)
where:
Base-Base interactions energy: -218.970
where: short stacking energy: -97.082
Base-Backbone interact. energy: -0.000
local terms energy: -83.290515
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -24.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -243.100866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.100866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.100866 (E_RNA)
where:
Base-Base interactions energy: -167.036
where: short stacking energy: -81.881
Base-Backbone interact. energy: -0.560
local terms energy: -75.505081
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -8.410
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: 7, replica: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -204.788751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.788751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.788751 (E_RNA)
where:
Base-Base interactions energy: -137.699
where: short stacking energy: -67.760
Base-Backbone interact. energy: 0.608
local terms energy: -67.698177
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -13.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -210.324289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.324289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.324289 (E_RNA)
where:
Base-Base interactions energy: -142.840
where: short stacking energy: -62.169
Base-Backbone interact. energy: 0.002
local terms energy: -67.485911
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -9.494
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: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -215.605424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.605424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.605424 (E_RNA)
where:
Base-Base interactions energy: -142.680
where: short stacking energy: -68.430
Base-Backbone interact. energy: 0.169
local terms energy: -73.094845
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -14.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -194.017730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.017730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.017730 (E_RNA)
where:
Base-Base interactions energy: -128.693
where: short stacking energy: -71.808
Base-Backbone interact. energy: -0.082
local terms energy: -65.242810
where:
bonds (distance) C4'-P energy: -7.589
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -10.240
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: 1, replica: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -316.266411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.266411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.266411 (E_RNA)
where:
Base-Base interactions energy: -231.474
where: short stacking energy: -101.346
Base-Backbone interact. energy: -0.018
local terms energy: -84.774006
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -23.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -309.804547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.804547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.804547 (E_RNA)
where:
Base-Base interactions energy: -219.377
where: short stacking energy: -91.238
Base-Backbone interact. energy: -0.352
local terms energy: -90.075647
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -27.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -306.075116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.075116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.075116 (E_RNA)
where:
Base-Base interactions energy: -224.533
where: short stacking energy: -92.047
Base-Backbone interact. energy: -0.074
local terms energy: -81.468065
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -294.835797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.835797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.835797 (E_RNA)
where:
Base-Base interactions energy: -209.744
where: short stacking energy: -99.457
Base-Backbone interact. energy: 0.079
local terms energy: -85.170933
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -24.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -300.077504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.077504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.077504 (E_RNA)
where:
Base-Base interactions energy: -221.281
where: short stacking energy: -108.937
Base-Backbone interact. energy: 1.009
local terms energy: -79.805964
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -24.582
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: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -250.414667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.414667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.414667 (E_RNA)
where:
Base-Base interactions energy: -176.352
where: short stacking energy: -88.415
Base-Backbone interact. energy: -0.434
local terms energy: -73.627998
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -10.355
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: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -219.539226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.539226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.539226 (E_RNA)
where:
Base-Base interactions energy: -146.237
where: short stacking energy: -69.742
Base-Backbone interact. energy: -0.319
local terms energy: -72.983282
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -11.960
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: 8, replica: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -233.778535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.778535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.778535 (E_RNA)
where:
Base-Base interactions energy: -152.319
where: short stacking energy: -76.289
Base-Backbone interact. energy: -0.053
local terms energy: -81.406665
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -12.159
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: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -199.578325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.578325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.578325 (E_RNA)
where:
Base-Base interactions energy: -123.477
where: short stacking energy: -57.993
Base-Backbone interact. energy: -0.868
local terms energy: -75.232811
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -12.098
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: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -178.145460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.145460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.145460 (E_RNA)
where:
Base-Base interactions energy: -121.432
where: short stacking energy: -54.470
Base-Backbone interact. energy: 0.277
local terms energy: -56.990453
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -308.580159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.580159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.580159 (E_RNA)
where:
Base-Base interactions energy: -217.325
where: short stacking energy: -99.550
Base-Backbone interact. energy: -0.001
local terms energy: -91.253879
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -25.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -306.456635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.456635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.456635 (E_RNA)
where:
Base-Base interactions energy: -226.176
where: short stacking energy: -93.076
Base-Backbone interact. energy: -0.303
local terms energy: -79.977989
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -23.647
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: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -309.508685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.508685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.508685 (E_RNA)
where:
Base-Base interactions energy: -218.093
where: short stacking energy: -86.895
Base-Backbone interact. energy: -0.202
local terms energy: -91.213724
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -27.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -288.455931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.455931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.455931 (E_RNA)
where:
Base-Base interactions energy: -206.738
where: short stacking energy: -89.031
Base-Backbone interact. energy: -0.001
local terms energy: -81.717463
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -22.335
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: 5
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -291.905649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.905649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.905649 (E_RNA)
where:
Base-Base interactions energy: -204.092
where: short stacking energy: -94.330
Base-Backbone interact. energy: -0.281
local terms energy: -87.532289
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -23.148
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: 6, replica: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -231.917576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.917576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.917576 (E_RNA)
where:
Base-Base interactions energy: -161.866
where: short stacking energy: -79.783
Base-Backbone interact. energy: -0.310
local terms energy: -69.741801
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -209.589046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.589046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.589046 (E_RNA)
where:
Base-Base interactions energy: -134.953
where: short stacking energy: -68.812
Base-Backbone interact. energy: 1.229
local terms energy: -75.865667
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -10.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -192.765021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.765021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.765021 (E_RNA)
where:
Base-Base interactions energy: -129.610
where: short stacking energy: -67.192
Base-Backbone interact. energy: -0.165
local terms energy: -62.989967
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -194.384912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.384912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.384912 (E_RNA)
where:
Base-Base interactions energy: -129.680
where: short stacking energy: -58.706
Base-Backbone interact. energy: -0.152
local terms energy: -64.553413
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -201.295304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.295304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.295304 (E_RNA)
where:
Base-Base interactions energy: -128.891
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.254
local terms energy: -72.150206
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -12.815
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: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -313.917412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.917412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.917412 (E_RNA)
where:
Base-Base interactions energy: -230.913
where: short stacking energy: -94.018
Base-Backbone interact. energy: -0.077
local terms energy: -82.927773
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -24.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -304.092733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.092733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.092733 (E_RNA)
where:
Base-Base interactions energy: -223.017
where: short stacking energy: -96.266
Base-Backbone interact. energy: -0.045
local terms energy: -81.031221
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -23.252
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: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -313.352444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.352444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.352444 (E_RNA)
where:
Base-Base interactions energy: -228.233
where: short stacking energy: -102.661
Base-Backbone interact. energy: -0.002
local terms energy: -85.117292
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -23.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -309.249289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.249289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.249289 (E_RNA)
where:
Base-Base interactions energy: -222.336
where: short stacking energy: -102.669
Base-Backbone interact. energy: -0.746
local terms energy: -86.167771
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -28.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -296.990690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.990690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.990690 (E_RNA)
where:
Base-Base interactions energy: -211.279
where: short stacking energy: -92.215
Base-Backbone interact. energy: -0.002
local terms energy: -85.710307
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -21.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -222.261399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.261399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.261399 (E_RNA)
where:
Base-Base interactions energy: -143.558
where: short stacking energy: -68.132
Base-Backbone interact. energy: -0.687
local terms energy: -78.016279
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -226.966946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.966946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.966946 (E_RNA)
where:
Base-Base interactions energy: -164.476
where: short stacking energy: -66.486
Base-Backbone interact. energy: 0.418
local terms energy: -62.909033
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -199.528091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.528091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.528091 (E_RNA)
where:
Base-Base interactions energy: -140.022
where: short stacking energy: -73.984
Base-Backbone interact. energy: -0.342
local terms energy: -59.163571
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -8.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -197.205260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.205260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.205260 (E_RNA)
where:
Base-Base interactions energy: -139.977
where: short stacking energy: -64.813
Base-Backbone interact. energy: -0.123
local terms energy: -57.105313
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -7.002
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: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -178.821860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.821860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.821860 (E_RNA)
where:
Base-Base interactions energy: -121.795
where: short stacking energy: -68.138
Base-Backbone interact. energy: -0.078
local terms energy: -56.949448
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -11.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -319.353883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.353883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.353883 (E_RNA)
where:
Base-Base interactions energy: -237.382
where: short stacking energy: -98.876
Base-Backbone interact. energy: -0.014
local terms energy: -81.958137
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -4.371
tors. eta vs tors. theta energy: -26.751
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: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -314.137901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.137901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.137901 (E_RNA)
where:
Base-Base interactions energy: -234.236
where: short stacking energy: -98.577
Base-Backbone interact. energy: -0.001
local terms energy: -79.901096
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -24.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -311.171083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.171083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.171083 (E_RNA)
where:
Base-Base interactions energy: -224.336
where: short stacking energy: -105.451
Base-Backbone interact. energy: -0.000
local terms energy: -86.834985
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -25.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -288.486264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.486264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.486264 (E_RNA)
where:
Base-Base interactions energy: -204.979
where: short stacking energy: -80.668
Base-Backbone interact. energy: -0.313
local terms energy: -83.194490
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -25.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -293.732813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.732813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.732813 (E_RNA)
where:
Base-Base interactions energy: -205.570
where: short stacking energy: -93.368
Base-Backbone interact. energy: -0.338
local terms energy: -87.824475
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -24.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -223.978970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.978970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.978970 (E_RNA)
where:
Base-Base interactions energy: -152.660
where: short stacking energy: -80.440
Base-Backbone interact. energy: -0.298
local terms energy: -71.021585
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -242.559440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.559440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.559440 (E_RNA)
where:
Base-Base interactions energy: -160.649
where: short stacking energy: -81.723
Base-Backbone interact. energy: -0.016
local terms energy: -81.894161
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -203.257257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.257257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.257257 (E_RNA)
where:
Base-Base interactions energy: -136.856
where: short stacking energy: -68.682
Base-Backbone interact. energy: -0.310
local terms energy: -66.091155
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -12.929
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: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -224.006249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.006249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.006249 (E_RNA)
where:
Base-Base interactions energy: -160.345
where: short stacking energy: -72.791
Base-Backbone interact. energy: -0.325
local terms energy: -63.336729
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -185.641526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.641526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.641526 (E_RNA)
where:
Base-Base interactions energy: -129.328
where: short stacking energy: -63.162
Base-Backbone interact. energy: -0.164
local terms energy: -56.149786
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -3.104
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -322.119702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.119702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.119702 (E_RNA)
where:
Base-Base interactions energy: -232.283
where: short stacking energy: -98.978
Base-Backbone interact. energy: -0.239
local terms energy: -89.598163
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -23.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -302.334602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.334602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.334602 (E_RNA)
where:
Base-Base interactions energy: -212.407
where: short stacking energy: -94.820
Base-Backbone interact. energy: -0.001
local terms energy: -89.927120
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -27.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -302.625962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.625962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.625962 (E_RNA)
where:
Base-Base interactions energy: -215.336
where: short stacking energy: -95.778
Base-Backbone interact. energy: -0.061
local terms energy: -87.228488
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -24.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -287.903687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.903687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.903687 (E_RNA)
where:
Base-Base interactions energy: -197.229
where: short stacking energy: -86.930
Base-Backbone interact. energy: -0.682
local terms energy: -89.993116
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -26.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -295.402991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.402991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.402991 (E_RNA)
where:
Base-Base interactions energy: -213.521
where: short stacking energy: -89.928
Base-Backbone interact. energy: -0.008
local terms energy: -81.873512
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -211.215623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.215623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.215623 (E_RNA)
where:
Base-Base interactions energy: -145.069
where: short stacking energy: -63.525
Base-Backbone interact. energy: -0.867
local terms energy: -65.279772
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -11.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -235.225426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.225426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.225426 (E_RNA)
where:
Base-Base interactions energy: -151.419
where: short stacking energy: -70.553
Base-Backbone interact. energy: -0.685
local terms energy: -83.121177
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -18.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -205.791268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.791268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.791268 (E_RNA)
where:
Base-Base interactions energy: -131.653
where: short stacking energy: -73.313
Base-Backbone interact. energy: -0.597
local terms energy: -73.540879
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -14.779
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: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -222.407197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.407197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.407197 (E_RNA)
where:
Base-Base interactions energy: -158.441
where: short stacking energy: -72.169
Base-Backbone interact. energy: -0.105
local terms energy: -63.861367
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -7.343
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: 10, replica: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -175.290614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.290614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.290614 (E_RNA)
where:
Base-Base interactions energy: -122.232
where: short stacking energy: -48.325
Base-Backbone interact. energy: -0.036
local terms energy: -53.023164
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -3.589
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -312.932797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.932797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.932797 (E_RNA)
where:
Base-Base interactions energy: -222.924
where: short stacking energy: -103.909
Base-Backbone interact. energy: -0.014
local terms energy: -89.994330
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -26.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -313.591023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.591023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.591023 (E_RNA)
where:
Base-Base interactions energy: -230.614
where: short stacking energy: -94.632
Base-Backbone interact. energy: -0.325
local terms energy: -82.651840
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -24.393
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: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -298.404319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.404319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.404319 (E_RNA)
where:
Base-Base interactions energy: -221.200
where: short stacking energy: -85.070
Base-Backbone interact. energy: -0.108
local terms energy: -77.096052
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -24.001
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: 5
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -309.104815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.104815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.104815 (E_RNA)
where:
Base-Base interactions energy: -226.480
where: short stacking energy: -101.456
Base-Backbone interact. energy: 0.099
local terms energy: -82.723391
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -24.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -290.170526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.170526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.170526 (E_RNA)
where:
Base-Base interactions energy: -213.144
where: short stacking energy: -85.610
Base-Backbone interact. energy: 0.403
local terms energy: -77.429290
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -26.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -241.540355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.540355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.540355 (E_RNA)
where:
Base-Base interactions energy: -167.028
where: short stacking energy: -86.386
Base-Backbone interact. energy: -0.040
local terms energy: -74.472150
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -219.321168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.321168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.321168 (E_RNA)
where:
Base-Base interactions energy: -146.617
where: short stacking energy: -65.252
Base-Backbone interact. energy: -0.416
local terms energy: -72.288052
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -12.065
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: 8, replica: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -245.621647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.621647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.621647 (E_RNA)
where:
Base-Base interactions energy: -163.403
where: short stacking energy: -80.623
Base-Backbone interact. energy: -0.016
local terms energy: -82.203108
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -189.722996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.722996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.722996 (E_RNA)
where:
Base-Base interactions energy: -127.995
where: short stacking energy: -58.457
Base-Backbone interact. energy: -1.185
local terms energy: -60.542987
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -8.635
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: 2
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -189.220684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.220684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.220684 (E_RNA)
where:
Base-Base interactions energy: -126.494
where: short stacking energy: -62.796
Base-Backbone interact. energy: 0.570
local terms energy: -63.296461
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -320.897766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.897766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.897766 (E_RNA)
where:
Base-Base interactions energy: -239.205
where: short stacking energy: -101.084
Base-Backbone interact. energy: -0.014
local terms energy: -81.678353
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -24.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -313.930039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.930039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.930039 (E_RNA)
where:
Base-Base interactions energy: -225.776
where: short stacking energy: -105.694
Base-Backbone interact. energy: -0.097
local terms energy: -88.057080
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -22.989
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: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -305.504217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.504217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.504217 (E_RNA)
where:
Base-Base interactions energy: -222.845
where: short stacking energy: -94.701
Base-Backbone interact. energy: -0.806
local terms energy: -81.853662
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -22.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -297.336195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.336195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.336195 (E_RNA)
where:
Base-Base interactions energy: -213.512
where: short stacking energy: -104.268
Base-Backbone interact. energy: -0.106
local terms energy: -83.718107
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -285.467646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.467646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.467646 (E_RNA)
where:
Base-Base interactions energy: -203.879
where: short stacking energy: -93.662
Base-Backbone interact. energy: -0.003
local terms energy: -81.585909
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -241.711987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.711987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.711987 (E_RNA)
where:
Base-Base interactions energy: -176.423
where: short stacking energy: -74.417
Base-Backbone interact. energy: -0.841
local terms energy: -64.447419
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -11.935
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: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -246.254920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.254920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.254920 (E_RNA)
where:
Base-Base interactions energy: -164.115
where: short stacking energy: -87.702
Base-Backbone interact. energy: -0.012
local terms energy: -82.127934
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -213.058123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.058123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.058123 (E_RNA)
where:
Base-Base interactions energy: -138.164
where: short stacking energy: -65.673
Base-Backbone interact. energy: -0.981
local terms energy: -73.912246
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -195.804442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.804442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.804442 (E_RNA)
where:
Base-Base interactions energy: -126.621
where: short stacking energy: -69.873
Base-Backbone interact. energy: -0.101
local terms energy: -69.082652
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -197.682845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.682845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.682845 (E_RNA)
where:
Base-Base interactions energy: -130.251
where: short stacking energy: -60.780
Base-Backbone interact. energy: -0.090
local terms energy: -67.341966
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -12.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -316.801955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.801955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.801955 (E_RNA)
where:
Base-Base interactions energy: -236.193
where: short stacking energy: -99.330
Base-Backbone interact. energy: -0.000
local terms energy: -80.608488
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -308.151212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.151212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.151212 (E_RNA)
where:
Base-Base interactions energy: -224.854
where: short stacking energy: -98.193
Base-Backbone interact. energy: -0.638
local terms energy: -82.659376
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -302.497091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.497091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.497091 (E_RNA)
where:
Base-Base interactions energy: -221.307
where: short stacking energy: -97.747
Base-Backbone interact. energy: -0.019
local terms energy: -81.171423
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -23.212
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: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -288.495306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.495306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.495306 (E_RNA)
where:
Base-Base interactions energy: -204.497
where: short stacking energy: -90.298
Base-Backbone interact. energy: -0.235
local terms energy: -83.763064
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -288.474900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.474900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.474900 (E_RNA)
where:
Base-Base interactions energy: -206.487
where: short stacking energy: -95.371
Base-Backbone interact. energy: -0.004
local terms energy: -81.983813
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -249.549908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.549908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.549908 (E_RNA)
where:
Base-Base interactions energy: -173.431
where: short stacking energy: -87.367
Base-Backbone interact. energy: 1.058
local terms energy: -77.176269
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -10.519
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: 7, replica: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -260.873034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.873034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.873034 (E_RNA)
where:
Base-Base interactions energy: -194.566
where: short stacking energy: -93.516
Base-Backbone interact. energy: -1.158
local terms energy: -65.148913
where:
bonds (distance) C4'-P energy: -8.104
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -205.824960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.824960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.824960 (E_RNA)
where:
Base-Base interactions energy: -134.449
where: short stacking energy: -78.053
Base-Backbone interact. energy: 0.296
local terms energy: -71.671546
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -220.744004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.744004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.744004 (E_RNA)
where:
Base-Base interactions energy: -153.549
where: short stacking energy: -80.138
Base-Backbone interact. energy: -0.041
local terms energy: -67.153771
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -196.806082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.806082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.806082 (E_RNA)
where:
Base-Base interactions energy: -136.589
where: short stacking energy: -55.570
Base-Backbone interact. energy: -0.070
local terms energy: -60.147044
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -6.237
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: 1, replica: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -315.801454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.801454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.801454 (E_RNA)
where:
Base-Base interactions energy: -227.009
where: short stacking energy: -98.989
Base-Backbone interact. energy: -0.003
local terms energy: -88.789749
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -22.181
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: 494
Temperature: 0.950000
Total energy: -305.545463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.545463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.545463 (E_RNA)
where:
Base-Base interactions energy: -215.743
where: short stacking energy: -91.602
Base-Backbone interact. energy: -0.012
local terms energy: -89.790266
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -24.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -306.512078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.512078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.512078 (E_RNA)
where:
Base-Base interactions energy: -219.919
where: short stacking energy: -90.080
Base-Backbone interact. energy: -0.172
local terms energy: -86.421282
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -22.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -290.285787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.285787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.285787 (E_RNA)
where:
Base-Base interactions energy: -200.867
where: short stacking energy: -101.435
Base-Backbone interact. energy: -0.002
local terms energy: -89.417165
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -22.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -252.830653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.830653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.830653 (E_RNA)
where:
Base-Base interactions energy: -172.488
where: short stacking energy: -92.356
Base-Backbone interact. energy: -0.848
local terms energy: -79.494600
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -22.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -297.855435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.855435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.855435 (E_RNA)
where:
Base-Base interactions energy: -221.130
where: short stacking energy: -96.288
Base-Backbone interact. energy: -0.009
local terms energy: -76.716393
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -23.914
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: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -255.239418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.239418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.239418 (E_RNA)
where:
Base-Base interactions energy: -173.716
where: short stacking energy: -95.099
Base-Backbone interact. energy: -1.004
local terms energy: -80.519498
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -20.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -209.327246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.327246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.327246 (E_RNA)
where:
Base-Base interactions energy: -139.346
where: short stacking energy: -69.962
Base-Backbone interact. energy: 3.577
local terms energy: -73.557790
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -15.381
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: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -223.270440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.270440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.270440 (E_RNA)
where:
Base-Base interactions energy: -152.979
where: short stacking energy: -76.809
Base-Backbone interact. energy: -0.933
local terms energy: -69.357990
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -21.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -186.422030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.422030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.422030 (E_RNA)
where:
Base-Base interactions energy: -119.888
where: short stacking energy: -59.631
Base-Backbone interact. energy: -0.109
local terms energy: -66.424559
where:
bonds (distance) C4'-P energy: -7.436
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -14.821
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: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -308.346041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.346041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.346041 (E_RNA)
where:
Base-Base interactions energy: -219.848
where: short stacking energy: -100.183
Base-Backbone interact. energy: -0.008
local terms energy: -88.489439
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -26.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -311.681119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.681119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.681119 (E_RNA)
where:
Base-Base interactions energy: -221.769
where: short stacking energy: -97.363
Base-Backbone interact. energy: -0.601
local terms energy: -89.311559
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -23.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -299.967766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.967766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.967766 (E_RNA)
where:
Base-Base interactions energy: -218.158
where: short stacking energy: -98.164
Base-Backbone interact. energy: -0.007
local terms energy: -81.802744
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -24.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -293.816346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.816346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.816346 (E_RNA)
where:
Base-Base interactions energy: -203.625
where: short stacking energy: -108.199
Base-Backbone interact. energy: 0.602
local terms energy: -90.793742
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -26.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -242.933133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.933133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.933133 (E_RNA)
where:
Base-Base interactions energy: -158.401
where: short stacking energy: -79.788
Base-Backbone interact. energy: -2.095
local terms energy: -82.436415
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -14.649
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: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -284.055460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.055460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.055460 (E_RNA)
where:
Base-Base interactions energy: -202.632
where: short stacking energy: -88.050
Base-Backbone interact. energy: -0.051
local terms energy: -81.372222
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -24.054
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: 495
Temperature: 1.200000
Total energy: -250.301929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.301929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.301929 (E_RNA)
where:
Base-Base interactions energy: -162.983
where: short stacking energy: -85.508
Base-Backbone interact. energy: -1.120
local terms energy: -86.199697
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -234.100702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.100702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.100702 (E_RNA)
where:
Base-Base interactions energy: -163.883
where: short stacking energy: -80.022
Base-Backbone interact. energy: -1.283
local terms energy: -68.935217
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -15.256
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: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -203.363251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.363251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.363251 (E_RNA)
where:
Base-Base interactions energy: -134.291
where: short stacking energy: -67.768
Base-Backbone interact. energy: 0.018
local terms energy: -69.090229
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -180.620433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.620433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.620433 (E_RNA)
where:
Base-Base interactions energy: -122.967
where: short stacking energy: -47.791
Base-Backbone interact. energy: -0.680
local terms energy: -56.974396
where:
bonds (distance) C4'-P energy: -10.378
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -12.862
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: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -312.502066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.502066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.502066 (E_RNA)
where:
Base-Base interactions energy: -227.329
where: short stacking energy: -98.558
Base-Backbone interact. energy: -0.001
local terms energy: -85.172185
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -313.262774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.262774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.262774 (E_RNA)
where:
Base-Base interactions energy: -226.819
where: short stacking energy: -108.053
Base-Backbone interact. energy: -0.002
local terms energy: -86.441785
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -25.057
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: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -300.606678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.606678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.606678 (E_RNA)
where:
Base-Base interactions energy: -220.381
where: short stacking energy: -98.739
Base-Backbone interact. energy: -0.004
local terms energy: -80.221556
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -26.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -295.358711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.358711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.358711 (E_RNA)
where:
Base-Base interactions energy: -213.832
where: short stacking energy: -95.926
Base-Backbone interact. energy: -0.004
local terms energy: -81.522490
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -22.653
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: 1
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -294.953653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.953653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.953653 (E_RNA)
where:
Base-Base interactions energy: -211.009
where: short stacking energy: -88.810
Base-Backbone interact. energy: -0.427
local terms energy: -83.517595
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -235.837515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.837515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.837515 (E_RNA)
where:
Base-Base interactions energy: -164.334
where: short stacking energy: -86.051
Base-Backbone interact. energy: -0.305
local terms energy: -71.199244
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -8.442
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: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -235.695790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.695790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.695790 (E_RNA)
where:
Base-Base interactions energy: -166.700
where: short stacking energy: -76.938
Base-Backbone interact. energy: -0.641
local terms energy: -68.355415
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -224.445500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.445500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.445500 (E_RNA)
where:
Base-Base interactions energy: -152.692
where: short stacking energy: -74.906
Base-Backbone interact. energy: -0.417
local terms energy: -71.336234
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -188.670811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.670811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.670811 (E_RNA)
where:
Base-Base interactions energy: -128.232
where: short stacking energy: -67.902
Base-Backbone interact. energy: -0.655
local terms energy: -59.783637
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -9.066
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: 2
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -190.118949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.118949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.118949 (E_RNA)
where:
Base-Base interactions energy: -117.565
where: short stacking energy: -55.733
Base-Backbone interact. energy: 0.166
local terms energy: -72.719424
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -13.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -312.931885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.931885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.931885 (E_RNA)
where:
Base-Base interactions energy: -221.673
where: short stacking energy: -98.830
Base-Backbone interact. energy: -0.001
local terms energy: -91.258093
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -313.387511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.387511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.387511 (E_RNA)
where:
Base-Base interactions energy: -227.672
where: short stacking energy: -103.105
Base-Backbone interact. energy: -0.349
local terms energy: -85.366713
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -26.356
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: 497
Temperature: 1.000000
Total energy: -307.693321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.693321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.693321 (E_RNA)
where:
Base-Base interactions energy: -223.432
where: short stacking energy: -100.072
Base-Backbone interact. energy: -0.280
local terms energy: -83.981070
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -24.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -297.678214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.678214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.678214 (E_RNA)
where:
Base-Base interactions energy: -217.640
where: short stacking energy: -100.243
Base-Backbone interact. energy: -0.118
local terms energy: -79.919916
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -23.467
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: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -301.559740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.559740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.559740 (E_RNA)
where:
Base-Base interactions energy: -209.863
where: short stacking energy: -101.963
Base-Backbone interact. energy: -0.001
local terms energy: -91.695171
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -26.234
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: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -252.744781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.744781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.744781 (E_RNA)
where:
Base-Base interactions energy: -167.693
where: short stacking energy: -89.450
Base-Backbone interact. energy: 0.762
local terms energy: -85.814275
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -23.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -217.285995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.285995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.285995 (E_RNA)
where:
Base-Base interactions energy: -145.940
where: short stacking energy: -72.055
Base-Backbone interact. energy: 0.095
local terms energy: -71.440698
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -8.406
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: 8, replica: 10
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -222.011478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.011478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.011478 (E_RNA)
where:
Base-Base interactions energy: -141.463
where: short stacking energy: -66.479
Base-Backbone interact. energy: -0.106
local terms energy: -80.443044
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -7.232
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: 9, replica: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -203.687878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.687878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.687878 (E_RNA)
where:
Base-Base interactions energy: -148.022
where: short stacking energy: -71.440
Base-Backbone interact. energy: -0.346
local terms energy: -55.319810
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -7.096
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: 10, replica: 2
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -188.880961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.880961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.880961 (E_RNA)
where:
Base-Base interactions energy: -126.870
where: short stacking energy: -60.659
Base-Backbone interact. energy: -1.513
local terms energy: -60.498150
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -13.353
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: 7
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -315.739445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.739445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.739445 (E_RNA)
where:
Base-Base interactions energy: -221.526
where: short stacking energy: -98.297
Base-Backbone interact. energy: -0.367
local terms energy: -93.845590
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -24.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -316.928265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.928265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.928265 (E_RNA)
where:
Base-Base interactions energy: -230.695
where: short stacking energy: -108.548
Base-Backbone interact. energy: -0.001
local terms energy: -86.232758
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -23.659
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: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -301.617389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.617389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.617389 (E_RNA)
where:
Base-Base interactions energy: -215.110
where: short stacking energy: -97.640
Base-Backbone interact. energy: -0.018
local terms energy: -86.489695
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -24.855
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: 4, replica: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -301.736075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.736075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.736075 (E_RNA)
where:
Base-Base interactions energy: -226.591
where: short stacking energy: -92.004
Base-Backbone interact. energy: -0.240
local terms energy: -74.905003
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -23.449
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: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -294.772227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.772227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.772227 (E_RNA)
where:
Base-Base interactions energy: -205.667
where: short stacking energy: -100.341
Base-Backbone interact. energy: -0.001
local terms energy: -89.104732
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -26.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -251.762747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.762747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.762747 (E_RNA)
where:
Base-Base interactions energy: -174.896
where: short stacking energy: -79.108
Base-Backbone interact. energy: -0.736
local terms energy: -76.130072
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -11.901
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: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -212.048741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.048741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.048741 (E_RNA)
where:
Base-Base interactions energy: -138.773
where: short stacking energy: -82.708
Base-Backbone interact. energy: -0.249
local terms energy: -73.026709
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -18.076
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: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -203.943924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.943924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.943924 (E_RNA)
where:
Base-Base interactions energy: -141.281
where: short stacking energy: -65.323
Base-Backbone interact. energy: -0.340
local terms energy: -62.323349
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -4.741
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -12.074
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: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -195.326345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.326345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.326345 (E_RNA)
where:
Base-Base interactions energy: -134.018
where: short stacking energy: -64.764
Base-Backbone interact. energy: -0.115
local terms energy: -61.193450
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: 0.452
tors. eta vs tors. theta energy: -11.762
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: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -193.299723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.299723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.299723 (E_RNA)
where:
Base-Base interactions energy: -135.657
where: short stacking energy: -58.416
Base-Backbone interact. energy: -0.359
local terms energy: -57.283461
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -8.513
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: 7
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -312.261381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.261381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.261381 (E_RNA)
where:
Base-Base interactions energy: -217.756
where: short stacking energy: -97.275
Base-Backbone interact. energy: -0.001
local terms energy: -94.503823
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -27.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -312.623047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.623047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.623047 (E_RNA)
where:
Base-Base interactions energy: -223.476
where: short stacking energy: -101.794
Base-Backbone interact. energy: -0.001
local terms energy: -89.145702
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -24.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -311.072207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.072207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.072207 (E_RNA)
where:
Base-Base interactions energy: -222.180
where: short stacking energy: -100.788
Base-Backbone interact. energy: 0.742
local terms energy: -89.634299
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -25.830
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: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -314.525918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.525918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.525918 (E_RNA)
where:
Base-Base interactions energy: -227.897
where: short stacking energy: -99.310
Base-Backbone interact. energy: -0.001
local terms energy: -86.627873
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -23.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -296.750727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.750727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.750727 (E_RNA)
where:
Base-Base interactions energy: -213.410
where: short stacking energy: -103.429
Base-Backbone interact. energy: -0.002
local terms energy: -83.339621
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -25.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -247.053848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.053848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.053848 (E_RNA)
where:
Base-Base interactions energy: -169.461
where: short stacking energy: -80.363
Base-Backbone interact. energy: -1.472
local terms energy: -76.120541
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -210.841492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.841492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.841492 (E_RNA)
where:
Base-Base interactions energy: -139.706
where: short stacking energy: -70.416
Base-Backbone interact. energy: -0.276
local terms energy: -70.859804
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -14.982
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: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -191.852855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.852855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.852855 (E_RNA)
where:
Base-Base interactions energy: -124.507
where: short stacking energy: -66.628
Base-Backbone interact. energy: -0.109
local terms energy: -67.236297
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -11.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -192.300536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.300536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.300536 (E_RNA)
where:
Base-Base interactions energy: -133.516
where: short stacking energy: -61.901
Base-Backbone interact. energy: -0.063
local terms energy: -58.721861
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -1.329
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -203.337065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.337065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.337065 (E_RNA)
where:
Base-Base interactions energy: -132.861
where: short stacking energy: -64.783
Base-Backbone interact. energy: -0.301
local terms energy: -70.175293
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -12.185
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: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -314.656923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.656923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.656923 (E_RNA)
where:
Base-Base interactions energy: -230.359
where: short stacking energy: -98.311
Base-Backbone interact. energy: -0.001
local terms energy: -84.296587
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -26.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -312.825138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.825138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.825138 (E_RNA)
where:
Base-Base interactions energy: -221.887
where: short stacking energy: -95.941
Base-Backbone interact. energy: -0.001
local terms energy: -90.937746
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -24.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -301.477620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.477620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.477620 (E_RNA)
where:
Base-Base interactions energy: -215.109
where: short stacking energy: -98.685
Base-Backbone interact. energy: -0.391
local terms energy: -85.977885
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -25.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -305.763436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.763436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.763436 (E_RNA)
where:
Base-Base interactions energy: -218.010
where: short stacking energy: -93.571
Base-Backbone interact. energy: -0.209
local terms energy: -87.544691
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -291.093117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.093117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.093117 (E_RNA)
where:
Base-Base interactions energy: -209.164
where: short stacking energy: -89.404
Base-Backbone interact. energy: -0.002
local terms energy: -81.927486
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -25.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -245.088451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.088451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.088451 (E_RNA)
where:
Base-Base interactions energy: -164.966
where: short stacking energy: -81.783
Base-Backbone interact. energy: 0.337
local terms energy: -80.460122
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -23.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -228.766608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.766608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.766608 (E_RNA)
where:
Base-Base interactions energy: -149.306
where: short stacking energy: -81.656
Base-Backbone interact. energy: -0.097
local terms energy: -79.363505
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -17.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -199.463834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.463834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.463834 (E_RNA)
where:
Base-Base interactions energy: -132.720
where: short stacking energy: -82.668
Base-Backbone interact. energy: 1.535
local terms energy: -68.278774
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -197.186881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.186881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.186881 (E_RNA)
where:
Base-Base interactions energy: -132.565
where: short stacking energy: -72.517
Base-Backbone interact. energy: -0.729
local terms energy: -63.892275
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -3.708
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -211.220960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.220960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.220960 (E_RNA)
where:
Base-Base interactions energy: -136.456
where: short stacking energy: -67.240
Base-Backbone interact. energy: -0.066
local terms energy: -74.699311
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -12.685
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: 1, replica: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -309.655268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.655268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.655268 (E_RNA)
where:
Base-Base interactions energy: -218.264
where: short stacking energy: -100.622
Base-Backbone interact. energy: 0.311
local terms energy: -91.702054
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -320.228824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.228824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.228824 (E_RNA)
where:
Base-Base interactions energy: -227.985
where: short stacking energy: -93.678
Base-Backbone interact. energy: -0.094
local terms energy: -92.149340
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -25.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -307.150237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.150237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.150237 (E_RNA)
where:
Base-Base interactions energy: -217.067
where: short stacking energy: -92.617
Base-Backbone interact. energy: -0.096
local terms energy: -89.986628
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -24.853
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: 1
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -305.121955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.121955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.121955 (E_RNA)
where:
Base-Base interactions energy: -219.071
where: short stacking energy: -87.817
Base-Backbone interact. energy: -0.280
local terms energy: -85.771405
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -22.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -298.030281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.030281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.030281 (E_RNA)
where:
Base-Base interactions energy: -218.716
where: short stacking energy: -85.977
Base-Backbone interact. energy: -0.004
local terms energy: -79.310054
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -23.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -256.965719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.965719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.965719 (E_RNA)
where:
Base-Base interactions energy: -173.589
where: short stacking energy: -94.895
Base-Backbone interact. energy: -0.326
local terms energy: -83.050505
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -24.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -248.098350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.098350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.098350 (E_RNA)
where:
Base-Base interactions energy: -171.947
where: short stacking energy: -70.674
Base-Backbone interact. energy: -2.111
local terms energy: -74.040614
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -214.171316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.171316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.171316 (E_RNA)
where:
Base-Base interactions energy: -142.871
where: short stacking energy: -71.191
Base-Backbone interact. energy: -1.357
local terms energy: -69.943740
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -202.227646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.227646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.227646 (E_RNA)
where:
Base-Base interactions energy: -129.104
where: short stacking energy: -59.367
Base-Backbone interact. energy: 0.394
local terms energy: -73.517933
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -183.905246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.905246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.905246 (E_RNA)
where:
Base-Base interactions energy: -117.405
where: short stacking energy: -61.294
Base-Backbone interact. energy: -0.089
local terms energy: -66.410553
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 10284534
moves confirmed later: 11322010
all moves confirmed: 21606544
percent of confirmed moves: 2.700818
current total energy: -289.349848
recalc. total energy: -289.349848
replica 3 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 9432562
moves confirmed later: 10242543
all moves confirmed: 19675105
percent of confirmed moves: 2.459388
current total energy: -273.864900
recalc. total energy: -273.864900
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 14610595
moves confirmed later: 17082917
all moves confirmed: 31693512
percent of confirmed moves: 3.961689
current total energy: -275.525341
recalc. total energy: -275.525341
replica 7 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 11234780
moves confirmed later: 12641148
all moves confirmed: 23875928
percent of confirmed moves: 2.984491
current total energy: -260.249559
recalc. total energy: -260.249559
replica 5 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 10029645
moves confirmed later: 11059744
all moves confirmed: 21089389
percent of confirmed moves: 2.636174
current total energy: -257.565047
recalc. total energy: -257.565047
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 16707402
moves confirmed later: 19722801
all moves confirmed: 36430203
percent of confirmed moves: 4.553775
current total energy: -200.052593
recalc. total energy: -200.052593
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 17176369
moves confirmed later: 20415128
all moves confirmed: 37591497
percent of confirmed moves: 4.698937
current total energy: -156.456817
recalc. total energy: -156.456817
replica 10 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 16719136
moves confirmed later: 19834519
all moves confirmed: 36553655
percent of confirmed moves: 4.569207
current total energy: -182.277820
recalc. total energy: -182.277820
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 15231740
moves confirmed later: 17836909
all moves confirmed: 33068649
percent of confirmed moves: 4.133581
current total energy: -132.784862
recalc. total energy: -132.784862
replica 4 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 15333459
moves confirmed later: 17929490
all moves confirmed: 33262949
percent of confirmed moves: 4.157869
current total energy: -104.376753
recalc. total energy: -104.376753
out arg RESULTS//1/NTUJDW-2155d89e_01
Time of doing 8000000 iterations: 1713.635 seconds