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/D1-6bf795db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6bf795db/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D1-6bf795db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6bf795db/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D1-6bf795db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6bf795db/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D1-6bf795db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6bf795db/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D1-6bf795db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6bf795db/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D1-6bf795db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6bf795db/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D1-6bf795db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6bf795db/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D1-6bf795db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6bf795db/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D1-6bf795db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6bf795db/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D1-6bf795db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6bf795db/inputs/seq.fa: 1
curr_seq: _UGGUACUGGAGCAUGGAAGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUACUGGAGCAUGGAAGUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -128.820572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.820572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.820572 (E_RNA)
where:
Base-Base interactions energy: -56.993
where: short stacking energy: -56.993
Base-Backbone interact. energy: -0.000
local terms energy: -71.827854
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -122.237244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.237244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.237244 (E_RNA)
where:
Base-Base interactions energy: -53.891
where: short stacking energy: -48.393
Base-Backbone interact. energy: -0.127
local terms energy: -68.219671
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -108.928622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.928622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.928622 (E_RNA)
where:
Base-Base interactions energy: -46.858
where: short stacking energy: -42.739
Base-Backbone interact. energy: 1.018
local terms energy: -63.087723
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -121.923594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.923594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.923594 (E_RNA)
where:
Base-Base interactions energy: -56.127
where: short stacking energy: -36.631
Base-Backbone interact. energy: -0.499
local terms energy: -65.297348
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -7.325
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -104.504145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.504145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.504145 (E_RNA)
where:
Base-Base interactions energy: -43.995
where: short stacking energy: -40.696
Base-Backbone interact. energy: -0.378
local terms energy: -60.131159
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -101.398241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.398241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.398241 (E_RNA)
where:
Base-Base interactions energy: -39.692
where: short stacking energy: -39.441
Base-Backbone interact. energy: -0.017
local terms energy: -61.689228
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -83.476747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.476747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.476747 (E_RNA)
where:
Base-Base interactions energy: -38.608
where: short stacking energy: -38.608
Base-Backbone interact. energy: -0.121
local terms energy: -44.748055
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -109.271300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.271300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.271300 (E_RNA)
where:
Base-Base interactions energy: -45.144
where: short stacking energy: -44.504
Base-Backbone interact. energy: -0.001
local terms energy: -64.126383
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -10.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -82.716544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.716544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.716544 (E_RNA)
where:
Base-Base interactions energy: -40.086
where: short stacking energy: -33.387
Base-Backbone interact. energy: -0.092
local terms energy: -42.538123
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -6.699
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -2.388
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -87.585213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.585213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.585213 (E_RNA)
where:
Base-Base interactions energy: -49.245
where: short stacking energy: -29.970
Base-Backbone interact. energy: -0.337
local terms energy: -38.003550
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -0.271
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -134.639500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.639500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.639500 (E_RNA)
where:
Base-Base interactions energy: -70.930
where: short stacking energy: -57.118
Base-Backbone interact. energy: -0.003
local terms energy: -63.706739
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -170.813459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.813459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.813459 (E_RNA)
where:
Base-Base interactions energy: -105.336
where: short stacking energy: -47.138
Base-Backbone interact. energy: -0.080
local terms energy: -65.397738
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.108
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -130.649574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.649574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.649574 (E_RNA)
where:
Base-Base interactions energy: -65.135
where: short stacking energy: -54.906
Base-Backbone interact. energy: -0.101
local terms energy: -65.414307
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -125.205510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.205510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.205510 (E_RNA)
where:
Base-Base interactions energy: -54.651
where: short stacking energy: -47.868
Base-Backbone interact. energy: -0.114
local terms energy: -70.440546
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -121.080394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.080394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.080394 (E_RNA)
where:
Base-Base interactions energy: -57.095
where: short stacking energy: -39.522
Base-Backbone interact. energy: 0.236
local terms energy: -64.221469
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -10.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -97.959940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.959940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.959940 (E_RNA)
where:
Base-Base interactions energy: -51.451
where: short stacking energy: -37.679
Base-Backbone interact. energy: -0.116
local terms energy: -46.393262
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -9.171
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -90.875154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.875154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.875154 (E_RNA)
where:
Base-Base interactions energy: -43.846
where: short stacking energy: -33.832
Base-Backbone interact. energy: -0.154
local terms energy: -46.875421
where:
bonds (distance) C4'-P energy: -7.747
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -7.659
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -8.398
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: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -96.595731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.595731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.595731 (E_RNA)
where:
Base-Base interactions energy: -43.858
where: short stacking energy: -38.183
Base-Backbone interact. energy: -0.151
local terms energy: -52.586942
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -78.630957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.630957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.630957 (E_RNA)
where:
Base-Base interactions energy: -29.913
where: short stacking energy: -28.112
Base-Backbone interact. energy: -0.962
local terms energy: -47.755484
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -84.053103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.053103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.053103 (E_RNA)
where:
Base-Base interactions energy: -35.987
where: short stacking energy: -20.776
Base-Backbone interact. energy: -0.200
local terms energy: -47.865823
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -186.886093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.886093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.886093 (E_RNA)
where:
Base-Base interactions energy: -115.038
where: short stacking energy: -62.227
Base-Backbone interact. energy: -0.070
local terms energy: -71.778720
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -13.189
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -133.516929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.516929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.516929 (E_RNA)
where:
Base-Base interactions energy: -62.388
where: short stacking energy: -62.388
Base-Backbone interact. energy: -0.002
local terms energy: -71.126491
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -132.080944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.080944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.080944 (E_RNA)
where:
Base-Base interactions energy: -55.927
where: short stacking energy: -55.927
Base-Backbone interact. energy: -0.001
local terms energy: -76.152610
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -118.438962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.438962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.438962 (E_RNA)
where:
Base-Base interactions energy: -58.587
where: short stacking energy: -58.510
Base-Backbone interact. energy: -0.288
local terms energy: -59.564286
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -2.005
tors. eta vs tors. theta energy: -10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -149.708337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.708337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.708337 (E_RNA)
where:
Base-Base interactions energy: -87.835
where: short stacking energy: -59.915
Base-Backbone interact. energy: 0.223
local terms energy: -62.096445
where:
bonds (distance) C4'-P energy: -6.426
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -111.214598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.214598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.214598 (E_RNA)
where:
Base-Base interactions energy: -46.893
where: short stacking energy: -43.182
Base-Backbone interact. energy: -0.054
local terms energy: -64.267925
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -12.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -91.539584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.539584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.539584 (E_RNA)
where:
Base-Base interactions energy: -40.718
where: short stacking energy: -40.156
Base-Backbone interact. energy: 2.040
local terms energy: -52.861642
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -89.197395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.197395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.197395 (E_RNA)
where:
Base-Base interactions energy: -44.491
where: short stacking energy: -34.650
Base-Backbone interact. energy: -0.550
local terms energy: -44.155630
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -9.268
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -85.393725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.393725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.393725 (E_RNA)
where:
Base-Base interactions energy: -35.894
where: short stacking energy: -35.894
Base-Backbone interact. energy: -0.181
local terms energy: -49.318829
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -3.869
tors. eta vs tors. theta energy: -7.572
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: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -74.967394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.967394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.967394 (E_RNA)
where:
Base-Base interactions energy: -26.263
where: short stacking energy: -14.152
Base-Backbone interact. energy: -0.599
local terms energy: -48.105230
where:
bonds (distance) C4'-P energy: -7.054
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -188.506693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.506693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.506693 (E_RNA)
where:
Base-Base interactions energy: -112.483
where: short stacking energy: -60.092
Base-Backbone interact. energy: -0.077
local terms energy: -75.946230
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -132.764443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.764443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.764443 (E_RNA)
where:
Base-Base interactions energy: -63.720
where: short stacking energy: -50.356
Base-Backbone interact. energy: -0.102
local terms energy: -68.941999
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -123.652012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.652012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.652012 (E_RNA)
where:
Base-Base interactions energy: -63.201
where: short stacking energy: -56.654
Base-Backbone interact. energy: -0.182
local terms energy: -60.268665
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -4.577
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: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -161.533343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.533343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.533343 (E_RNA)
where:
Base-Base interactions energy: -102.749
where: short stacking energy: -42.757
Base-Backbone interact. energy: -0.307
local terms energy: -58.476677
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -111.267152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.267152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.267152 (E_RNA)
where:
Base-Base interactions energy: -46.480
where: short stacking energy: -46.480
Base-Backbone interact. energy: -0.115
local terms energy: -64.672609
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -11.178
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: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -100.014296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.014296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.014296 (E_RNA)
where:
Base-Base interactions energy: -39.930
where: short stacking energy: -39.930
Base-Backbone interact. energy: -0.073
local terms energy: -60.011485
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -8.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -92.648608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.648608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.648608 (E_RNA)
where:
Base-Base interactions energy: -40.830
where: short stacking energy: -40.493
Base-Backbone interact. energy: -0.106
local terms energy: -51.711963
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -1.327
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: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -102.926933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.926933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.926933 (E_RNA)
where:
Base-Base interactions energy: -60.720
where: short stacking energy: -40.782
Base-Backbone interact. energy: -0.002
local terms energy: -42.204686
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -88.843108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.843108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.843108 (E_RNA)
where:
Base-Base interactions energy: -45.242
where: short stacking energy: -31.458
Base-Backbone interact. energy: -0.227
local terms energy: -43.373717
where:
bonds (distance) C4'-P energy: -7.955
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -77.999418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.999418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.999418 (E_RNA)
where:
Base-Base interactions energy: -34.570
where: short stacking energy: -14.441
Base-Backbone interact. energy: -0.619
local terms energy: -42.810887
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -8.228
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -200.462844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.462844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.462844 (E_RNA)
where:
Base-Base interactions energy: -128.213
where: short stacking energy: -65.202
Base-Backbone interact. energy: -0.005
local terms energy: -72.245303
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -19.992
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: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -126.770748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.770748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.770748 (E_RNA)
where:
Base-Base interactions energy: -61.609
where: short stacking energy: -45.361
Base-Backbone interact. energy: 2.852
local terms energy: -68.013782
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -172.467294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.467294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.467294 (E_RNA)
where:
Base-Base interactions energy: -105.832
where: short stacking energy: -60.842
Base-Backbone interact. energy: -0.066
local terms energy: -66.569403
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -7.573
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: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -129.531970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.531970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.531970 (E_RNA)
where:
Base-Base interactions energy: -75.810
where: short stacking energy: -38.391
Base-Backbone interact. energy: -0.897
local terms energy: -52.824467
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -104.264463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.264463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.264463 (E_RNA)
where:
Base-Base interactions energy: -48.880
where: short stacking energy: -42.941
Base-Backbone interact. energy: -0.017
local terms energy: -55.367135
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -110.470829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.470829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.470829 (E_RNA)
where:
Base-Base interactions energy: -57.639
where: short stacking energy: -32.968
Base-Backbone interact. energy: -0.053
local terms energy: -52.778062
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -94.431343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.431343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.431343 (E_RNA)
where:
Base-Base interactions energy: -38.797
where: short stacking energy: -30.358
Base-Backbone interact. energy: -0.049
local terms energy: -55.584986
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -86.894046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.894046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.894046 (E_RNA)
where:
Base-Base interactions energy: -38.241
where: short stacking energy: -36.171
Base-Backbone interact. energy: -0.257
local terms energy: -48.395504
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -87.050348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.050348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.050348 (E_RNA)
where:
Base-Base interactions energy: -36.400
where: short stacking energy: -26.234
Base-Backbone interact. energy: -0.179
local terms energy: -50.470791
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -78.664295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.664295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.664295 (E_RNA)
where:
Base-Base interactions energy: -25.595
where: short stacking energy: -23.418
Base-Backbone interact. energy: -0.069
local terms energy: -53.001001
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -201.573761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.573761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.573761 (E_RNA)
where:
Base-Base interactions energy: -124.538
where: short stacking energy: -61.619
Base-Backbone interact. energy: -0.001
local terms energy: -77.034627
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -175.888142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.888142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.888142 (E_RNA)
where:
Base-Base interactions energy: -112.037
where: short stacking energy: -52.140
Base-Backbone interact. energy: -0.135
local terms energy: -63.716500
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -111.677996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.677996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.677996 (E_RNA)
where:
Base-Base interactions energy: -47.857
where: short stacking energy: -37.086
Base-Backbone interact. energy: -0.543
local terms energy: -63.277998
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -118.068699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.068699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.068699 (E_RNA)
where:
Base-Base interactions energy: -59.580
where: short stacking energy: -56.657
Base-Backbone interact. energy: -0.187
local terms energy: -58.301164
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -11.132
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: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -132.485279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.485279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.485279 (E_RNA)
where:
Base-Base interactions energy: -72.422
where: short stacking energy: -31.315
Base-Backbone interact. energy: -1.589
local terms energy: -58.474310
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -3.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -117.114471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.114471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.114471 (E_RNA)
where:
Base-Base interactions energy: -58.856
where: short stacking energy: -42.255
Base-Backbone interact. energy: 0.043
local terms energy: -58.301757
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -93.555566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.555566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.555566 (E_RNA)
where:
Base-Base interactions energy: -42.310
where: short stacking energy: -30.093
Base-Backbone interact. energy: -0.818
local terms energy: -50.427468
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -1.976
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: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -84.840706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.840706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.840706 (E_RNA)
where:
Base-Base interactions energy: -36.980
where: short stacking energy: -28.715
Base-Backbone interact. energy: 1.660
local terms energy: -49.520180
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -83.012727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.012727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.012727 (E_RNA)
where:
Base-Base interactions energy: -32.192
where: short stacking energy: -31.572
Base-Backbone interact. energy: -0.109
local terms energy: -50.712394
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -76.494896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.494896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.494896 (E_RNA)
where:
Base-Base interactions energy: -34.024
where: short stacking energy: -31.810
Base-Backbone interact. energy: -0.010
local terms energy: -42.460808
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: 1.069
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -191.981931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.981931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.981931 (E_RNA)
where:
Base-Base interactions energy: -118.033
where: short stacking energy: -67.571
Base-Backbone interact. energy: -0.271
local terms energy: -73.677821
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -187.567284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.567284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.567284 (E_RNA)
where:
Base-Base interactions energy: -110.322
where: short stacking energy: -57.099
Base-Backbone interact. energy: 0.028
local terms energy: -77.272484
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -122.806163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.806163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.806163 (E_RNA)
where:
Base-Base interactions energy: -50.162
where: short stacking energy: -44.016
Base-Backbone interact. energy: -0.037
local terms energy: -72.607177
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -14.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -119.855850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.855850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.855850 (E_RNA)
where:
Base-Base interactions energy: -56.427
where: short stacking energy: -53.774
Base-Backbone interact. energy: -0.068
local terms energy: -63.360982
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -9.677
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: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -104.700460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.700460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.700460 (E_RNA)
where:
Base-Base interactions energy: -44.356
where: short stacking energy: -38.963
Base-Backbone interact. energy: -0.082
local terms energy: -60.261609
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -8.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -101.975335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.975335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.975335 (E_RNA)
where:
Base-Base interactions energy: -45.509
where: short stacking energy: -35.641
Base-Backbone interact. energy: -0.093
local terms energy: -56.372622
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -101.737646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.737646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.737646 (E_RNA)
where:
Base-Base interactions energy: -50.936
where: short stacking energy: -38.286
Base-Backbone interact. energy: -0.012
local terms energy: -50.789441
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -4.256
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: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -96.192732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.192732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.192732 (E_RNA)
where:
Base-Base interactions energy: -42.303
where: short stacking energy: -40.485
Base-Backbone interact. energy: -0.035
local terms energy: -53.855537
where:
bonds (distance) C4'-P energy: -7.177
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -13.345
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: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -84.894817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.894817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.894817 (E_RNA)
where:
Base-Base interactions energy: -35.286
where: short stacking energy: -32.059
Base-Backbone interact. energy: -0.008
local terms energy: -49.600754
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -83.688614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.688614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.688614 (E_RNA)
where:
Base-Base interactions energy: -29.931
where: short stacking energy: -30.321
Base-Backbone interact. energy: -0.213
local terms energy: -53.544095
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -196.253026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.253026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.253026 (E_RNA)
where:
Base-Base interactions energy: -126.959
where: short stacking energy: -57.816
Base-Backbone interact. energy: -0.568
local terms energy: -68.726496
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -10.357
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: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -182.140196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.140196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.140196 (E_RNA)
where:
Base-Base interactions energy: -108.131
where: short stacking energy: -58.790
Base-Backbone interact. energy: -0.634
local terms energy: -73.374530
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -10.267
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: 3, replica: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -113.309714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.309714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.309714 (E_RNA)
where:
Base-Base interactions energy: -52.493
where: short stacking energy: -49.796
Base-Backbone interact. energy: -0.764
local terms energy: -60.052896
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -10.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -101.107394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.107394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.107394 (E_RNA)
where:
Base-Base interactions energy: -56.615
where: short stacking energy: -43.480
Base-Backbone interact. energy: 0.826
local terms energy: -45.318126
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -7.255
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -96.531644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.531644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.531644 (E_RNA)
where:
Base-Base interactions energy: -44.157
where: short stacking energy: -34.254
Base-Backbone interact. energy: -0.083
local terms energy: -52.290988
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -8.053
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -110.008957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.008957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.008957 (E_RNA)
where:
Base-Base interactions energy: -45.665
where: short stacking energy: -42.051
Base-Backbone interact. energy: -0.009
local terms energy: -64.335294
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -9.319
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: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -99.177982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.177982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.177982 (E_RNA)
where:
Base-Base interactions energy: -42.162
where: short stacking energy: -42.162
Base-Backbone interact. energy: -0.027
local terms energy: -56.989014
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -8.776
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: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -85.635484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.635484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.635484 (E_RNA)
where:
Base-Base interactions energy: -39.069
where: short stacking energy: -37.346
Base-Backbone interact. energy: 1.214
local terms energy: -47.780980
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -9.065
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -6.347
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: 9
Temperature: 1.300000
Total energy: -91.405772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.405772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.405772 (E_RNA)
where:
Base-Base interactions energy: -42.191
where: short stacking energy: -38.016
Base-Backbone interact. energy: -0.009
local terms energy: -49.205413
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -5.836
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -90.031430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.031430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.031430 (E_RNA)
where:
Base-Base interactions energy: -36.173
where: short stacking energy: -26.731
Base-Backbone interact. energy: -0.037
local terms energy: -53.821252
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -6.325
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -202.650565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.650565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.650565 (E_RNA)
where:
Base-Base interactions energy: -128.513
where: short stacking energy: -54.217
Base-Backbone interact. energy: -0.132
local terms energy: -74.004926
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -184.750118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.750118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.750118 (E_RNA)
where:
Base-Base interactions energy: -108.285
where: short stacking energy: -66.191
Base-Backbone interact. energy: -0.074
local terms energy: -76.391270
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -145.914060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.914060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.914060 (E_RNA)
where:
Base-Base interactions energy: -70.803
where: short stacking energy: -70.803
Base-Backbone interact. energy: -0.000
local terms energy: -75.110857
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -111.911483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.911483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.911483 (E_RNA)
where:
Base-Base interactions energy: -48.085
where: short stacking energy: -41.909
Base-Backbone interact. energy: -0.035
local terms energy: -63.791048
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -125.389883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.389883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.389883 (E_RNA)
where:
Base-Base interactions energy: -72.003
where: short stacking energy: -40.776
Base-Backbone interact. energy: -0.280
local terms energy: -53.106800
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -6.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -91.787494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.787494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.787494 (E_RNA)
where:
Base-Base interactions energy: -38.684
where: short stacking energy: -38.269
Base-Backbone interact. energy: -0.211
local terms energy: -52.892381
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -97.243152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.243152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.243152 (E_RNA)
where:
Base-Base interactions energy: -51.680
where: short stacking energy: -38.817
Base-Backbone interact. energy: 0.337
local terms energy: -45.900704
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -88.747576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.747576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.747576 (E_RNA)
where:
Base-Base interactions energy: -38.120
where: short stacking energy: -23.925
Base-Backbone interact. energy: -0.305
local terms energy: -50.322576
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -2.218
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: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -92.342453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.342453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.342453 (E_RNA)
where:
Base-Base interactions energy: -43.376
where: short stacking energy: -38.206
Base-Backbone interact. energy: -0.028
local terms energy: -48.938743
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -6.781
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -6.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -77.888583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.888583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.888583 (E_RNA)
where:
Base-Base interactions energy: -23.233
where: short stacking energy: -23.578
Base-Backbone interact. energy: -0.689
local terms energy: -53.966089
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -8.171
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -210.644024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.644024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.644024 (E_RNA)
where:
Base-Base interactions energy: -140.639
where: short stacking energy: -59.985
Base-Backbone interact. energy: 0.189
local terms energy: -70.194107
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -13.175
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: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -179.097515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.097515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.097515 (E_RNA)
where:
Base-Base interactions energy: -101.031
where: short stacking energy: -60.214
Base-Backbone interact. energy: -0.003
local terms energy: -78.063393
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -127.256795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.256795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.256795 (E_RNA)
where:
Base-Base interactions energy: -55.917
where: short stacking energy: -55.260
Base-Backbone interact. energy: -0.000
local terms energy: -71.339865
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -17.575
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: 11
Temperature: 1.050000
Total energy: -162.525890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.525890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.525890 (E_RNA)
where:
Base-Base interactions energy: -98.753
where: short stacking energy: -54.555
Base-Backbone interact. energy: -0.285
local terms energy: -63.488397
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -104.670568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.670568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.670568 (E_RNA)
where:
Base-Base interactions energy: -43.881
where: short stacking energy: -43.881
Base-Backbone interact. energy: -0.055
local terms energy: -60.734508
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -120.086611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.086611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.086611 (E_RNA)
where:
Base-Base interactions energy: -71.619
where: short stacking energy: -40.689
Base-Backbone interact. energy: -0.314
local terms energy: -48.154086
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -88.479955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.479955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.479955 (E_RNA)
where:
Base-Base interactions energy: -40.061
where: short stacking energy: -33.109
Base-Backbone interact. energy: -0.486
local terms energy: -47.933222
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: 0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -83.563652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.563652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.563652 (E_RNA)
where:
Base-Base interactions energy: -28.302
where: short stacking energy: -27.475
Base-Backbone interact. energy: -0.242
local terms energy: -55.019395
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -2.068
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: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -81.693139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.693139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.693139 (E_RNA)
where:
Base-Base interactions energy: -30.406
where: short stacking energy: -28.298
Base-Backbone interact. energy: -0.034
local terms energy: -51.253556
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -79.629278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.629278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.629278 (E_RNA)
where:
Base-Base interactions energy: -22.734
where: short stacking energy: -21.158
Base-Backbone interact. energy: -0.191
local terms energy: -56.703788
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -181.216494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.216494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.216494 (E_RNA)
where:
Base-Base interactions energy: -107.057
where: short stacking energy: -60.970
Base-Backbone interact. energy: -0.032
local terms energy: -74.127600
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -193.404046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.404046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.404046 (E_RNA)
where:
Base-Base interactions energy: -124.246
where: short stacking energy: -54.419
Base-Backbone interact. energy: -0.126
local terms energy: -69.032025
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -11.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -139.208282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.208282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.208282 (E_RNA)
where:
Base-Base interactions energy: -75.110
where: short stacking energy: -40.267
Base-Backbone interact. energy: -0.298
local terms energy: -63.800282
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -109.757900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.757900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.757900 (E_RNA)
where:
Base-Base interactions energy: -48.680
where: short stacking energy: -43.394
Base-Backbone interact. energy: -0.301
local terms energy: -60.777245
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -114.901294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.901294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.901294 (E_RNA)
where:
Base-Base interactions energy: -56.971
where: short stacking energy: -36.450
Base-Backbone interact. energy: -0.534
local terms energy: -57.397048
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -6.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -96.720505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.720505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.720505 (E_RNA)
where:
Base-Base interactions energy: -38.638
where: short stacking energy: -38.638
Base-Backbone interact. energy: -0.067
local terms energy: -58.014873
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -84.431931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.431931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.431931 (E_RNA)
where:
Base-Base interactions energy: -30.372
where: short stacking energy: -30.372
Base-Backbone interact. energy: -0.195
local terms energy: -53.865109
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -85.381060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.381060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.381060 (E_RNA)
where:
Base-Base interactions energy: -32.984
where: short stacking energy: -31.575
Base-Backbone interact. energy: -0.209
local terms energy: -52.187859
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -3.084
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: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -72.234993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.234993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.234993 (E_RNA)
where:
Base-Base interactions energy: -32.518
where: short stacking energy: -16.100
Base-Backbone interact. energy: -0.369
local terms energy: -39.347736
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: 3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -75.311065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.311065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.311065 (E_RNA)
where:
Base-Base interactions energy: -23.460
where: short stacking energy: -15.222
Base-Backbone interact. energy: -0.184
local terms energy: -51.667412
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: 1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -186.910651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.910651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.910651 (E_RNA)
where:
Base-Base interactions energy: -112.690
where: short stacking energy: -66.501
Base-Backbone interact. energy: -0.145
local terms energy: -74.075628
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -17.362
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: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -187.028923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.028923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.028923 (E_RNA)
where:
Base-Base interactions energy: -118.167
where: short stacking energy: -60.918
Base-Backbone interact. energy: -0.144
local terms energy: -68.717868
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -174.742641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.742641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.742641 (E_RNA)
where:
Base-Base interactions energy: -108.219
where: short stacking energy: -41.783
Base-Backbone interact. energy: 0.234
local terms energy: -66.756931
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -6.163
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: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -138.759932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.759932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.759932 (E_RNA)
where:
Base-Base interactions energy: -78.397
where: short stacking energy: -45.901
Base-Backbone interact. energy: -0.067
local terms energy: -60.295795
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -6.249
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: 10
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -113.582298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.582298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.582298 (E_RNA)
where:
Base-Base interactions energy: -49.537
where: short stacking energy: -34.388
Base-Backbone interact. energy: -0.089
local terms energy: -63.956714
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -7.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -107.170004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.170004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.170004 (E_RNA)
where:
Base-Base interactions energy: -43.167
where: short stacking energy: -42.735
Base-Backbone interact. energy: -0.034
local terms energy: -63.969238
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -90.759709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.759709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.759709 (E_RNA)
where:
Base-Base interactions energy: -37.788
where: short stacking energy: -33.946
Base-Backbone interact. energy: -0.928
local terms energy: -52.043531
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -7.440
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: 3
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -91.002931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.002931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.002931 (E_RNA)
where:
Base-Base interactions energy: -39.046
where: short stacking energy: -25.202
Base-Backbone interact. energy: -0.195
local terms energy: -51.761421
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -89.551716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.551716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.551716 (E_RNA)
where:
Base-Base interactions energy: -44.799
where: short stacking energy: -30.523
Base-Backbone interact. energy: -0.117
local terms energy: -44.635653
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -9.945
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -82.460510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.460510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.460510 (E_RNA)
where:
Base-Base interactions energy: -30.993
where: short stacking energy: -26.826
Base-Backbone interact. energy: -0.092
local terms energy: -51.375282
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -188.821773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.821773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.821773 (E_RNA)
where:
Base-Base interactions energy: -108.474
where: short stacking energy: -66.767
Base-Backbone interact. energy: 0.089
local terms energy: -80.436797
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -20.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -205.884888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.884888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.884888 (E_RNA)
where:
Base-Base interactions energy: -130.840
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.063
local terms energy: -74.981871
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -160.235184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.235184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.235184 (E_RNA)
where:
Base-Base interactions energy: -92.391
where: short stacking energy: -43.193
Base-Backbone interact. energy: -0.325
local terms energy: -67.519895
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -172.005017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.005017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.005017 (E_RNA)
where:
Base-Base interactions energy: -102.268
where: short stacking energy: -50.868
Base-Backbone interact. energy: -0.075
local terms energy: -69.661849
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -106.433816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.433816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.433816 (E_RNA)
where:
Base-Base interactions energy: -49.580
where: short stacking energy: -41.310
Base-Backbone interact. energy: -0.185
local terms energy: -56.668968
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -4.976
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: 6, replica: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -93.723482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.723482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.723482 (E_RNA)
where:
Base-Base interactions energy: -36.059
where: short stacking energy: -31.604
Base-Backbone interact. energy: -0.234
local terms energy: -57.430146
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -86.218861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.218861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.218861 (E_RNA)
where:
Base-Base interactions energy: -31.379
where: short stacking energy: -27.094
Base-Backbone interact. energy: 0.366
local terms energy: -55.205665
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -88.710993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.710993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.710993 (E_RNA)
where:
Base-Base interactions energy: -37.134
where: short stacking energy: -27.698
Base-Backbone interact. energy: -1.720
local terms energy: -49.856781
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -88.787428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.787428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.787428 (E_RNA)
where:
Base-Base interactions energy: -47.756
where: short stacking energy: -31.476
Base-Backbone interact. energy: -0.073
local terms energy: -40.958308
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -3.733
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -76.795812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.795812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.795812 (E_RNA)
where:
Base-Base interactions energy: -36.430
where: short stacking energy: -30.805
Base-Backbone interact. energy: -0.312
local terms energy: -40.054268
where:
bonds (distance) C4'-P energy: -6.458
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -187.530265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.530265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.530265 (E_RNA)
where:
Base-Base interactions energy: -114.639
where: short stacking energy: -67.005
Base-Backbone interact. energy: -0.027
local terms energy: -72.864222
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -16.145
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: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -202.995577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.995577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.995577 (E_RNA)
where:
Base-Base interactions energy: -130.472
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.050
local terms energy: -72.472944
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -16.444
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: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -161.286807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.286807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.286807 (E_RNA)
where:
Base-Base interactions energy: -103.026
where: short stacking energy: -48.268
Base-Backbone interact. energy: -0.222
local terms energy: -58.039358
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -184.029345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.029345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.029345 (E_RNA)
where:
Base-Base interactions energy: -113.469
where: short stacking energy: -55.205
Base-Backbone interact. energy: -0.003
local terms energy: -70.557500
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -11.603
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: 5, replica: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -104.014967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.014967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.014967 (E_RNA)
where:
Base-Base interactions energy: -47.172
where: short stacking energy: -40.207
Base-Backbone interact. energy: -0.818
local terms energy: -56.025366
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -98.639753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.639753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.639753 (E_RNA)
where:
Base-Base interactions energy: -44.752
where: short stacking energy: -29.683
Base-Backbone interact. energy: -0.542
local terms energy: -53.345589
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: 1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -84.456397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.456397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.456397 (E_RNA)
where:
Base-Base interactions energy: -33.415
where: short stacking energy: -33.415
Base-Backbone interact. energy: -0.013
local terms energy: -51.027583
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -81.640274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.640274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.640274 (E_RNA)
where:
Base-Base interactions energy: -28.609
where: short stacking energy: -19.930
Base-Backbone interact. energy: -0.203
local terms energy: -52.828600
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -88.401707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.401707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.401707 (E_RNA)
where:
Base-Base interactions energy: -39.616
where: short stacking energy: -28.572
Base-Backbone interact. energy: -1.059
local terms energy: -47.725985
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -81.717490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.717490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.717490 (E_RNA)
where:
Base-Base interactions energy: -37.980
where: short stacking energy: -27.239
Base-Backbone interact. energy: -0.112
local terms energy: -43.625733
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: 1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -217.540705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.540705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.540705 (E_RNA)
where:
Base-Base interactions energy: -141.858
where: short stacking energy: -65.243
Base-Backbone interact. energy: -0.045
local terms energy: -75.637343
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -10.611
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: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -184.432557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.432557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.432557 (E_RNA)
where:
Base-Base interactions energy: -115.544
where: short stacking energy: -59.067
Base-Backbone interact. energy: -0.325
local terms energy: -68.563666
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -193.081622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.081622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.081622 (E_RNA)
where:
Base-Base interactions energy: -123.093
where: short stacking energy: -50.523
Base-Backbone interact. energy: -0.102
local terms energy: -69.886659
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -159.397192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.397192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.397192 (E_RNA)
where:
Base-Base interactions energy: -98.783
where: short stacking energy: -59.189
Base-Backbone interact. energy: -0.052
local terms energy: -60.562721
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -6.989
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -109.428686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.428686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.428686 (E_RNA)
where:
Base-Base interactions energy: -41.710
where: short stacking energy: -37.933
Base-Backbone interact. energy: -0.187
local terms energy: -67.531473
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -99.515481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.515481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.515481 (E_RNA)
where:
Base-Base interactions energy: -46.943
where: short stacking energy: -41.629
Base-Backbone interact. energy: -0.047
local terms energy: -52.524520
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -106.158066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.158066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.158066 (E_RNA)
where:
Base-Base interactions energy: -48.141
where: short stacking energy: -39.005
Base-Backbone interact. energy: -0.104
local terms energy: -57.913664
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -9.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -88.828596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.828596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.828596 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -36.238
Base-Backbone interact. energy: -0.208
local terms energy: -52.382995
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -83.588567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.588567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.588567 (E_RNA)
where:
Base-Base interactions energy: -37.592
where: short stacking energy: -28.390
Base-Backbone interact. energy: -0.477
local terms energy: -45.519053
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -8.019
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -3.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -76.859061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.859061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.859061 (E_RNA)
where:
Base-Base interactions energy: -27.054
where: short stacking energy: -22.080
Base-Backbone interact. energy: -0.232
local terms energy: -49.573673
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -206.857972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.857972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.857972 (E_RNA)
where:
Base-Base interactions energy: -132.852
where: short stacking energy: -68.305
Base-Backbone interact. energy: 0.080
local terms energy: -74.086297
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.967
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: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -200.209233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.209233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.209233 (E_RNA)
where:
Base-Base interactions energy: -130.515
where: short stacking energy: -62.865
Base-Backbone interact. energy: -0.016
local terms energy: -69.678128
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -157.699660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.699660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.699660 (E_RNA)
where:
Base-Base interactions energy: -90.597
where: short stacking energy: -48.789
Base-Backbone interact. energy: -0.054
local terms energy: -67.048478
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -7.628
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: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -146.135742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.135742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.135742 (E_RNA)
where:
Base-Base interactions energy: -88.246
where: short stacking energy: -50.705
Base-Backbone interact. energy: 2.108
local terms energy: -59.997912
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -118.329000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.329000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.329000 (E_RNA)
where:
Base-Base interactions energy: -52.683
where: short stacking energy: -47.676
Base-Backbone interact. energy: -0.235
local terms energy: -65.411638
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -94.723234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.723234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.723234 (E_RNA)
where:
Base-Base interactions energy: -36.138
where: short stacking energy: -30.351
Base-Backbone interact. energy: 0.232
local terms energy: -58.817991
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -85.433822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.433822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.433822 (E_RNA)
where:
Base-Base interactions energy: -32.861
where: short stacking energy: -27.591
Base-Backbone interact. energy: -0.148
local terms energy: -52.424497
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -81.197501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.197501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.197501 (E_RNA)
where:
Base-Base interactions energy: -36.635
where: short stacking energy: -31.444
Base-Backbone interact. energy: -0.421
local terms energy: -44.140646
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -93.183755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.183755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.183755 (E_RNA)
where:
Base-Base interactions energy: -43.967
where: short stacking energy: -23.194
Base-Backbone interact. energy: -0.250
local terms energy: -48.967557
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -9.111
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -8.759
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: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -70.517334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.517334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.517334 (E_RNA)
where:
Base-Base interactions energy: -23.096
where: short stacking energy: -23.096
Base-Backbone interact. energy: -0.544
local terms energy: -46.877790
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -212.064566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.064566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.064566 (E_RNA)
where:
Base-Base interactions energy: -145.467
where: short stacking energy: -74.049
Base-Backbone interact. energy: -0.015
local terms energy: -66.583220
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -191.377207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.377207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.377207 (E_RNA)
where:
Base-Base interactions energy: -115.459
where: short stacking energy: -59.402
Base-Backbone interact. energy: -0.092
local terms energy: -75.826147
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -15.724
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: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -172.803591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.803591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.803591 (E_RNA)
where:
Base-Base interactions energy: -102.562
where: short stacking energy: -58.199
Base-Backbone interact. energy: -0.027
local terms energy: -70.214759
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -17.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -152.884551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.884551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.884551 (E_RNA)
where:
Base-Base interactions energy: -89.238
where: short stacking energy: -53.523
Base-Backbone interact. energy: -1.201
local terms energy: -62.445349
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -105.409069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.409069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.409069 (E_RNA)
where:
Base-Base interactions energy: -48.514
where: short stacking energy: -44.801
Base-Backbone interact. energy: -0.440
local terms energy: -56.455311
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -88.575947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.575947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.575947 (E_RNA)
where:
Base-Base interactions energy: -37.050
where: short stacking energy: -31.551
Base-Backbone interact. energy: -0.113
local terms energy: -51.413370
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -92.959630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.959630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.959630 (E_RNA)
where:
Base-Base interactions energy: -35.924
where: short stacking energy: -36.166
Base-Backbone interact. energy: -0.023
local terms energy: -57.012822
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -9.657
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: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -97.751809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.751809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.751809 (E_RNA)
where:
Base-Base interactions energy: -43.497
where: short stacking energy: -34.663
Base-Backbone interact. energy: 0.358
local terms energy: -54.613066
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.759
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: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -75.932067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.932067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.932067 (E_RNA)
where:
Base-Base interactions energy: -29.456
where: short stacking energy: -29.556
Base-Backbone interact. energy: -0.116
local terms energy: -46.359976
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -5.723
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -78.409974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.409974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.409974 (E_RNA)
where:
Base-Base interactions energy: -31.017
where: short stacking energy: -15.033
Base-Backbone interact. energy: -0.569
local terms energy: -46.823779
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -210.442412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.442412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.442412 (E_RNA)
where:
Base-Base interactions energy: -142.112
where: short stacking energy: -57.633
Base-Backbone interact. energy: -0.111
local terms energy: -68.220234
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -204.492813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.492813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.492813 (E_RNA)
where:
Base-Base interactions energy: -133.455
where: short stacking energy: -63.450
Base-Backbone interact. energy: 3.170
local terms energy: -74.207833
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -17.447
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: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -166.057837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.057837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.057837 (E_RNA)
where:
Base-Base interactions energy: -98.221
where: short stacking energy: -53.299
Base-Backbone interact. energy: -0.130
local terms energy: -67.706590
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -171.225084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.225084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.225084 (E_RNA)
where:
Base-Base interactions energy: -102.846
where: short stacking energy: -56.894
Base-Backbone interact. energy: -0.008
local terms energy: -68.370652
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -118.511130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511130 (E_RNA)
where:
Base-Base interactions energy: -57.617
where: short stacking energy: -42.644
Base-Backbone interact. energy: -0.439
local terms energy: -60.454881
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -97.141859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.141859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.141859 (E_RNA)
where:
Base-Base interactions energy: -38.978
where: short stacking energy: -38.873
Base-Backbone interact. energy: -0.088
local terms energy: -58.076753
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -101.246778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.246778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.246778 (E_RNA)
where:
Base-Base interactions energy: -44.388
where: short stacking energy: -42.808
Base-Backbone interact. energy: -0.085
local terms energy: -56.774170
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -96.412468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.412468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.412468 (E_RNA)
where:
Base-Base interactions energy: -42.067
where: short stacking energy: -31.132
Base-Backbone interact. energy: 0.003
local terms energy: -54.348156
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -81.647114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.647114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.647114 (E_RNA)
where:
Base-Base interactions energy: -35.462
where: short stacking energy: -34.858
Base-Backbone interact. energy: -0.143
local terms energy: -46.042551
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -82.391247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.391247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.391247 (E_RNA)
where:
Base-Base interactions energy: -38.265
where: short stacking energy: -33.783
Base-Backbone interact. energy: -0.216
local terms energy: -43.910157
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -8.210
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -203.860320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.860320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.860320 (E_RNA)
where:
Base-Base interactions energy: -137.943
where: short stacking energy: -70.969
Base-Backbone interact. energy: -0.022
local terms energy: -65.894732
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -196.307061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.307061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.307061 (E_RNA)
where:
Base-Base interactions energy: -121.687
where: short stacking energy: -53.256
Base-Backbone interact. energy: -0.046
local terms energy: -74.573549
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -182.790068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.790068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.790068 (E_RNA)
where:
Base-Base interactions energy: -108.562
where: short stacking energy: -64.598
Base-Backbone interact. energy: -0.000
local terms energy: -74.227796
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -21.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -170.524739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.524739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.524739 (E_RNA)
where:
Base-Base interactions energy: -99.633
where: short stacking energy: -55.524
Base-Backbone interact. energy: -0.080
local terms energy: -70.811510
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -112.325067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.325067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.325067 (E_RNA)
where:
Base-Base interactions energy: -54.713
where: short stacking energy: -41.859
Base-Backbone interact. energy: -0.061
local terms energy: -57.551686
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -148.863344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.863344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.863344 (E_RNA)
where:
Base-Base interactions energy: -82.482
where: short stacking energy: -49.083
Base-Backbone interact. energy: 1.202
local terms energy: -67.583617
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -11.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -104.657887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.657887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.657887 (E_RNA)
where:
Base-Base interactions energy: -49.336
where: short stacking energy: -40.633
Base-Backbone interact. energy: 0.361
local terms energy: -55.682828
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -6.442
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: 20
Temperature: 1.250000
Total energy: -83.833096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.833096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.833096 (E_RNA)
where:
Base-Base interactions energy: -26.104
where: short stacking energy: -24.970
Base-Backbone interact. energy: -0.032
local terms energy: -57.697403
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -9.119
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: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -75.325697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.325697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.325697 (E_RNA)
where:
Base-Base interactions energy: -27.291
where: short stacking energy: -22.696
Base-Backbone interact. energy: -0.112
local terms energy: -47.922467
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -8.332
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -81.251891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.251891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.251891 (E_RNA)
where:
Base-Base interactions energy: -27.779
where: short stacking energy: -25.996
Base-Backbone interact. energy: -0.135
local terms energy: -53.337729
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -211.131458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.131458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.131458 (E_RNA)
where:
Base-Base interactions energy: -132.252
where: short stacking energy: -61.206
Base-Backbone interact. energy: -0.004
local terms energy: -78.875093
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -187.498725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.498725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.498725 (E_RNA)
where:
Base-Base interactions energy: -108.406
where: short stacking energy: -61.030
Base-Backbone interact. energy: -0.312
local terms energy: -78.781513
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -18.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -178.873643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.873643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.873643 (E_RNA)
where:
Base-Base interactions energy: -116.517
where: short stacking energy: -59.863
Base-Backbone interact. energy: -0.572
local terms energy: -61.784788
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -165.409381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.409381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.409381 (E_RNA)
where:
Base-Base interactions energy: -92.333
where: short stacking energy: -55.614
Base-Backbone interact. energy: -0.023
local terms energy: -73.052689
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -10.740
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: 5, replica: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -100.487239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.487239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.487239 (E_RNA)
where:
Base-Base interactions energy: -43.622
where: short stacking energy: -38.148
Base-Backbone interact. energy: -0.250
local terms energy: -56.615435
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -5.216
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: 21
Temperature: 1.150000
Total energy: -105.015875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.015875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.015875 (E_RNA)
where:
Base-Base interactions energy: -46.523
where: short stacking energy: -46.523
Base-Backbone interact. energy: -0.351
local terms energy: -58.141037
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -138.047309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.047309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.047309 (E_RNA)
where:
Base-Base interactions energy: -78.233
where: short stacking energy: -44.031
Base-Backbone interact. energy: -0.904
local terms energy: -58.909526
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -11.859
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: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -92.671760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.671760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.671760 (E_RNA)
where:
Base-Base interactions energy: -44.012
where: short stacking energy: -29.949
Base-Backbone interact. energy: -0.577
local terms energy: -48.082881
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -89.816005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.816005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.816005 (E_RNA)
where:
Base-Base interactions energy: -31.933
where: short stacking energy: -30.935
Base-Backbone interact. energy: -0.128
local terms energy: -57.754776
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -88.586474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.586474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.586474 (E_RNA)
where:
Base-Base interactions energy: -32.440
where: short stacking energy: -32.440
Base-Backbone interact. energy: 1.323
local terms energy: -57.469840
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -185.460106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.460106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.460106 (E_RNA)
where:
Base-Base interactions energy: -109.739
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.006
local terms energy: -75.715205
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -15.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -199.053487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.053487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.053487 (E_RNA)
where:
Base-Base interactions energy: -131.628
where: short stacking energy: -53.828
Base-Backbone interact. energy: -0.345
local terms energy: -67.080144
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -9.577
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: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -171.629317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.629317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.629317 (E_RNA)
where:
Base-Base interactions energy: -104.468
where: short stacking energy: -50.293
Base-Backbone interact. energy: -0.016
local terms energy: -67.145913
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -9.947
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: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -183.548930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.548930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.548930 (E_RNA)
where:
Base-Base interactions energy: -114.994
where: short stacking energy: -54.775
Base-Backbone interact. energy: -0.651
local terms energy: -67.903111
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -123.818773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.818773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.818773 (E_RNA)
where:
Base-Base interactions energy: -63.953
where: short stacking energy: -48.239
Base-Backbone interact. energy: -0.478
local terms energy: -59.387386
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -8.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -97.285748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.285748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.285748 (E_RNA)
where:
Base-Base interactions energy: -46.516
where: short stacking energy: -36.366
Base-Backbone interact. energy: -0.095
local terms energy: -50.674564
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -112.098095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.098095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.098095 (E_RNA)
where:
Base-Base interactions energy: -55.953
where: short stacking energy: -45.398
Base-Backbone interact. energy: 0.140
local terms energy: -56.284544
where:
bonds (distance) C4'-P energy: -6.879
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -86.116761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.116761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.116761 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -31.581
Base-Backbone interact. energy: -0.847
local terms energy: -52.925863
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -5.131
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: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -96.487900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.487900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.487900 (E_RNA)
where:
Base-Base interactions energy: -43.018
where: short stacking energy: -41.659
Base-Backbone interact. energy: -0.339
local terms energy: -53.130320
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -75.449128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.449128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.449128 (E_RNA)
where:
Base-Base interactions energy: -31.506
where: short stacking energy: -21.539
Base-Backbone interact. energy: -0.233
local terms energy: -43.710888
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -193.443653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.443653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.443653 (E_RNA)
where:
Base-Base interactions energy: -116.203
where: short stacking energy: -68.757
Base-Backbone interact. energy: -0.085
local terms energy: -77.154933
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -10.105
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: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -166.970894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.970894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.970894 (E_RNA)
where:
Base-Base interactions energy: -97.177
where: short stacking energy: -58.988
Base-Backbone interact. energy: -0.121
local terms energy: -69.672860
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -187.826051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.826051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.826051 (E_RNA)
where:
Base-Base interactions energy: -117.522
where: short stacking energy: -69.676
Base-Backbone interact. energy: -0.028
local terms energy: -70.276701
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -12.834
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: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -161.489360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.489360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.489360 (E_RNA)
where:
Base-Base interactions energy: -100.922
where: short stacking energy: -59.862
Base-Backbone interact. energy: -0.283
local terms energy: -60.283900
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -114.198101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.198101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.198101 (E_RNA)
where:
Base-Base interactions energy: -50.226
where: short stacking energy: -45.856
Base-Backbone interact. energy: -0.015
local terms energy: -63.957102
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -11.816
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: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -101.979433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.979433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.979433 (E_RNA)
where:
Base-Base interactions energy: -57.071
where: short stacking energy: -30.530
Base-Backbone interact. energy: -0.146
local terms energy: -44.762474
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -8.902
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -96.829939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.829939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.829939 (E_RNA)
where:
Base-Base interactions energy: -42.079
where: short stacking energy: -30.869
Base-Backbone interact. energy: -0.720
local terms energy: -54.030286
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -96.707493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.707493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.707493 (E_RNA)
where:
Base-Base interactions energy: -43.286
where: short stacking energy: -33.991
Base-Backbone interact. energy: 1.113
local terms energy: -54.534409
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -90.997384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.997384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.997384 (E_RNA)
where:
Base-Base interactions energy: -35.132
where: short stacking energy: -30.653
Base-Backbone interact. energy: -0.175
local terms energy: -55.690415
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -83.042144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.042144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.042144 (E_RNA)
where:
Base-Base interactions energy: -33.563
where: short stacking energy: -33.770
Base-Backbone interact. energy: 0.413
local terms energy: -49.891636
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -4.711
tors. eta vs tors. theta energy: -3.174
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: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -184.452254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.452254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.452254 (E_RNA)
where:
Base-Base interactions energy: -115.367
where: short stacking energy: -58.731
Base-Backbone interact. energy: -0.166
local terms energy: -68.920191
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -196.741887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.741887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.741887 (E_RNA)
where:
Base-Base interactions energy: -124.500
where: short stacking energy: -64.204
Base-Backbone interact. energy: -0.107
local terms energy: -72.135026
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -17.043
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: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -193.069043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.069043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.069043 (E_RNA)
where:
Base-Base interactions energy: -118.639
where: short stacking energy: -58.691
Base-Backbone interact. energy: -0.010
local terms energy: -74.420406
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -172.066038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.066038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.066038 (E_RNA)
where:
Base-Base interactions energy: -114.101
where: short stacking energy: -60.317
Base-Backbone interact. energy: -0.885
local terms energy: -57.079318
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -99.746631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.746631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.746631 (E_RNA)
where:
Base-Base interactions energy: -45.698
where: short stacking energy: -36.692
Base-Backbone interact. energy: 0.582
local terms energy: -54.631081
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -103.262096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.262096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.262096 (E_RNA)
where:
Base-Base interactions energy: -46.728
where: short stacking energy: -45.662
Base-Backbone interact. energy: -0.179
local terms energy: -56.354795
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -93.529921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.529921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.529921 (E_RNA)
where:
Base-Base interactions energy: -38.104
where: short stacking energy: -34.197
Base-Backbone interact. energy: 0.533
local terms energy: -55.959484
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -8.786
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: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -96.435391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.435391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.435391 (E_RNA)
where:
Base-Base interactions energy: -48.694
where: short stacking energy: -29.004
Base-Backbone interact. energy: 0.786
local terms energy: -48.527139
where:
bonds (distance) C4'-P energy: -8.939
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -4.127
tors. eta vs tors. theta energy: -0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -112.305297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.305297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.305297 (E_RNA)
where:
Base-Base interactions energy: -55.105
where: short stacking energy: -53.079
Base-Backbone interact. energy: -0.021
local terms energy: -57.180127
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -11.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -72.346402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.346402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.346402 (E_RNA)
where:
Base-Base interactions energy: -28.266
where: short stacking energy: -15.445
Base-Backbone interact. energy: -0.240
local terms energy: -43.839642
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: 2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -187.195152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.195152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.195152 (E_RNA)
where:
Base-Base interactions energy: -105.765
where: short stacking energy: -68.402
Base-Backbone interact. energy: -2.323
local terms energy: -79.107227
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -9.252
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: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -190.277057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.277057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.277057 (E_RNA)
where:
Base-Base interactions energy: -119.237
where: short stacking energy: -62.286
Base-Backbone interact. energy: -0.217
local terms energy: -70.823047
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -9.630
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: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -174.901329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.901329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.901329 (E_RNA)
where:
Base-Base interactions energy: -110.952
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.303
local terms energy: -63.646176
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -161.060681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.060681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.060681 (E_RNA)
where:
Base-Base interactions energy: -99.819
where: short stacking energy: -48.845
Base-Backbone interact. energy: -1.199
local terms energy: -60.042761
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -145.803654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.803654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.803654 (E_RNA)
where:
Base-Base interactions energy: -83.351
where: short stacking energy: -57.514
Base-Backbone interact. energy: -0.072
local terms energy: -62.380607
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -93.645978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.645978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.645978 (E_RNA)
where:
Base-Base interactions energy: -46.014
where: short stacking energy: -34.580
Base-Backbone interact. energy: -0.370
local terms energy: -47.261640
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -94.740319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.740319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.740319 (E_RNA)
where:
Base-Base interactions energy: -52.719
where: short stacking energy: -31.968
Base-Backbone interact. energy: -1.284
local terms energy: -40.737177
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: 1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -82.115435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.115435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.115435 (E_RNA)
where:
Base-Base interactions energy: -38.641
where: short stacking energy: -34.546
Base-Backbone interact. energy: 0.747
local terms energy: -44.221516
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: 0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -98.068367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.068367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.068367 (E_RNA)
where:
Base-Base interactions energy: -53.361
where: short stacking energy: -32.798
Base-Backbone interact. energy: -0.141
local terms energy: -44.566089
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: 0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -80.243986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.243986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.243986 (E_RNA)
where:
Base-Base interactions energy: -29.955
where: short stacking energy: -29.955
Base-Backbone interact. energy: -0.104
local terms energy: -50.185185
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -203.479260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.479260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.479260 (E_RNA)
where:
Base-Base interactions energy: -130.907
where: short stacking energy: -77.290
Base-Backbone interact. energy: -0.236
local terms energy: -72.336938
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -176.596615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.596615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.596615 (E_RNA)
where:
Base-Base interactions energy: -103.432
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.795
local terms energy: -72.369722
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -10.661
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: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -182.981821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.981821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.981821 (E_RNA)
where:
Base-Base interactions energy: -115.493
where: short stacking energy: -57.550
Base-Backbone interact. energy: -0.010
local terms energy: -67.478561
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -11.934
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: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -156.317561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.317561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.317561 (E_RNA)
where:
Base-Base interactions energy: -85.755
where: short stacking energy: -47.415
Base-Backbone interact. energy: -0.073
local terms energy: -70.489971
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -104.191956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.191956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.191956 (E_RNA)
where:
Base-Base interactions energy: -41.119
where: short stacking energy: -41.119
Base-Backbone interact. energy: -0.043
local terms energy: -63.030067
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -122.716202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.716202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.716202 (E_RNA)
where:
Base-Base interactions energy: -68.666
where: short stacking energy: -33.050
Base-Backbone interact. energy: -0.126
local terms energy: -53.924099
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -92.448543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.448543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.448543 (E_RNA)
where:
Base-Base interactions energy: -45.557
where: short stacking energy: -36.215
Base-Backbone interact. energy: -0.153
local terms energy: -46.738708
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -3.325
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -86.215899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.215899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.215899 (E_RNA)
where:
Base-Base interactions energy: -35.381
where: short stacking energy: -35.381
Base-Backbone interact. energy: -0.469
local terms energy: -50.366017
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -88.794784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.794784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.794784 (E_RNA)
where:
Base-Base interactions energy: -40.343
where: short stacking energy: -37.940
Base-Backbone interact. energy: -0.083
local terms energy: -48.369412
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -3.642
tors. eta vs tors. theta energy: -5.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -80.551148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.551148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.551148 (E_RNA)
where:
Base-Base interactions energy: -27.588
where: short stacking energy: -24.598
Base-Backbone interact. energy: -0.234
local terms energy: -52.729182
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -197.865163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.865163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.865163 (E_RNA)
where:
Base-Base interactions energy: -126.029
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.004
local terms energy: -71.832106
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -209.592097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.592097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.592097 (E_RNA)
where:
Base-Base interactions energy: -140.711
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.002
local terms energy: -68.879510
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -17.383
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: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -164.833811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.833811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.833811 (E_RNA)
where:
Base-Base interactions energy: -98.956
where: short stacking energy: -55.191
Base-Backbone interact. energy: -0.484
local terms energy: -65.393839
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -168.939332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.939332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.939332 (E_RNA)
where:
Base-Base interactions energy: -106.392
where: short stacking energy: -65.616
Base-Backbone interact. energy: -0.647
local terms energy: -61.901128
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -11.113
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: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -125.542982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.542982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.542982 (E_RNA)
where:
Base-Base interactions energy: -65.087
where: short stacking energy: -39.234
Base-Backbone interact. energy: -0.103
local terms energy: -60.353100
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -140.764992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.764992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.764992 (E_RNA)
where:
Base-Base interactions energy: -74.635
where: short stacking energy: -46.180
Base-Backbone interact. energy: -0.082
local terms energy: -66.048126
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -13.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -107.883398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.883398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.883398 (E_RNA)
where:
Base-Base interactions energy: -56.410
where: short stacking energy: -27.594
Base-Backbone interact. energy: 0.314
local terms energy: -51.787469
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -9.013
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -89.382070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.382070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.382070 (E_RNA)
where:
Base-Base interactions energy: -38.967
where: short stacking energy: -26.382
Base-Backbone interact. energy: -0.020
local terms energy: -50.395111
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -3.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -73.815455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.815455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.815455 (E_RNA)
where:
Base-Base interactions energy: -30.999
where: short stacking energy: -17.103
Base-Backbone interact. energy: -0.925
local terms energy: -41.891920
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: 1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -84.226665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.226665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.226665 (E_RNA)
where:
Base-Base interactions energy: -34.388
where: short stacking energy: -31.820
Base-Backbone interact. energy: -0.157
local terms energy: -49.681889
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -198.115095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.115095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.115095 (E_RNA)
where:
Base-Base interactions energy: -135.953
where: short stacking energy: -56.127
Base-Backbone interact. energy: -0.271
local terms energy: -61.890492
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -185.048745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.048745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.048745 (E_RNA)
where:
Base-Base interactions energy: -117.398
where: short stacking energy: -59.314
Base-Backbone interact. energy: -0.219
local terms energy: -67.432152
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -9.588
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: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -163.770600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.770600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.770600 (E_RNA)
where:
Base-Base interactions energy: -98.617
where: short stacking energy: -41.858
Base-Backbone interact. energy: -1.898
local terms energy: -63.255547
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -8.343
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: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -174.434582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.434582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.434582 (E_RNA)
where:
Base-Base interactions energy: -113.608
where: short stacking energy: -58.374
Base-Backbone interact. energy: -0.126
local terms energy: -60.701049
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -11.629
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: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -139.106578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.106578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.106578 (E_RNA)
where:
Base-Base interactions energy: -79.061
where: short stacking energy: -43.817
Base-Backbone interact. energy: -0.322
local terms energy: -59.723652
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -97.230975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.230975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.230975 (E_RNA)
where:
Base-Base interactions energy: -52.773
where: short stacking energy: -36.188
Base-Backbone interact. energy: -0.812
local terms energy: -43.646248
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -10.148
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -111.415893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.415893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.415893 (E_RNA)
where:
Base-Base interactions energy: -49.474
where: short stacking energy: -49.474
Base-Backbone interact. energy: -0.003
local terms energy: -61.939401
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -12.253
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: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -85.466284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.466284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.466284 (E_RNA)
where:
Base-Base interactions energy: -40.671
where: short stacking energy: -30.808
Base-Backbone interact. energy: -0.518
local terms energy: -44.277999
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -8.201
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -79.599296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.599296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.599296 (E_RNA)
where:
Base-Base interactions energy: -34.182
where: short stacking energy: -31.568
Base-Backbone interact. energy: 0.318
local terms energy: -45.734959
where:
bonds (distance) C4'-P energy: -4.481
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -81.489852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.489852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.489852 (E_RNA)
where:
Base-Base interactions energy: -38.719
where: short stacking energy: -29.660
Base-Backbone interact. energy: -0.711
local terms energy: -42.059605
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -7.332
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: 0.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -206.358505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.358505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.358505 (E_RNA)
where:
Base-Base interactions energy: -136.669
where: short stacking energy: -60.025
Base-Backbone interact. energy: -0.333
local terms energy: -69.357022
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -13.169
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: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -176.442100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.442100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.442100 (E_RNA)
where:
Base-Base interactions energy: -110.114
where: short stacking energy: -50.553
Base-Backbone interact. energy: -1.389
local terms energy: -64.939345
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -14.056
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: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -172.396717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.396717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.396717 (E_RNA)
where:
Base-Base interactions energy: -111.115
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.534
local terms energy: -60.747543
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -3.431
tors. eta vs tors. theta energy: -17.897
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: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -192.781440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.781440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.781440 (E_RNA)
where:
Base-Base interactions energy: -124.955
where: short stacking energy: -55.599
Base-Backbone interact. energy: -0.328
local terms energy: -67.498650
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -13.671
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: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -136.857059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.857059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.857059 (E_RNA)
where:
Base-Base interactions energy: -68.808
where: short stacking energy: -49.117
Base-Backbone interact. energy: -1.734
local terms energy: -66.314670
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -13.171
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: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -108.912963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.912963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.912963 (E_RNA)
where:
Base-Base interactions energy: -51.728
where: short stacking energy: -44.677
Base-Backbone interact. energy: -0.015
local terms energy: -57.170191
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -9.854
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -11.281
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: 7, replica: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -116.954200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.954200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.954200 (E_RNA)
where:
Base-Base interactions energy: -68.303
where: short stacking energy: -33.954
Base-Backbone interact. energy: -1.443
local terms energy: -47.208274
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -8.610
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -81.328621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.328621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.328621 (E_RNA)
where:
Base-Base interactions energy: -33.875
where: short stacking energy: -22.921
Base-Backbone interact. energy: -0.077
local terms energy: -47.376208
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: 0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -83.161276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.161276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.161276 (E_RNA)
where:
Base-Base interactions energy: -30.434
where: short stacking energy: -30.330
Base-Backbone interact. energy: -0.113
local terms energy: -52.615012
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -4.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -74.115663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.115663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.115663 (E_RNA)
where:
Base-Base interactions energy: -28.031
where: short stacking energy: -19.868
Base-Backbone interact. energy: -0.234
local terms energy: -45.850328
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: 4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -217.485628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.485628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.485628 (E_RNA)
where:
Base-Base interactions energy: -147.405
where: short stacking energy: -55.935
Base-Backbone interact. energy: -0.298
local terms energy: -69.783007
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -12.389
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: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -171.713321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.713321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.713321 (E_RNA)
where:
Base-Base interactions energy: -112.829
where: short stacking energy: -51.685
Base-Backbone interact. energy: -0.081
local terms energy: -58.802932
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -4.014
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -174.593774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.593774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.593774 (E_RNA)
where:
Base-Base interactions energy: -103.486
where: short stacking energy: -48.817
Base-Backbone interact. energy: 0.469
local terms energy: -71.576343
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -10.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -163.717442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.717442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.717442 (E_RNA)
where:
Base-Base interactions energy: -93.761
where: short stacking energy: -52.608
Base-Backbone interact. energy: -0.033
local terms energy: -69.923586
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -154.006913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.006913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.006913 (E_RNA)
where:
Base-Base interactions energy: -99.260
where: short stacking energy: -50.995
Base-Backbone interact. energy: -0.285
local terms energy: -54.461399
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -5.909
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -99.694751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.694751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.694751 (E_RNA)
where:
Base-Base interactions energy: -41.659
where: short stacking energy: -41.659
Base-Backbone interact. energy: -0.005
local terms energy: -58.030536
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -97.029364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.029364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.029364 (E_RNA)
where:
Base-Base interactions energy: -43.931
where: short stacking energy: -28.568
Base-Backbone interact. energy: -0.140
local terms energy: -52.958274
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -103.662655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.662655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.662655 (E_RNA)
where:
Base-Base interactions energy: -55.122
where: short stacking energy: -33.867
Base-Backbone interact. energy: -0.146
local terms energy: -48.394937
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: -8.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -86.720573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.720573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.720573 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -32.301
Base-Backbone interact. energy: -0.887
local terms energy: -47.533048
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -8.329
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -6.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -78.184637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.184637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.184637 (E_RNA)
where:
Base-Base interactions energy: -30.469
where: short stacking energy: -25.707
Base-Backbone interact. energy: -0.152
local terms energy: -47.563752
where:
bonds (distance) C4'-P energy: -8.958
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -214.353224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.353224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.353224 (E_RNA)
where:
Base-Base interactions energy: -145.852
where: short stacking energy: -56.493
Base-Backbone interact. energy: -0.037
local terms energy: -68.463882
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -12.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -184.131615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.131615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.131615 (E_RNA)
where:
Base-Base interactions energy: -112.730
where: short stacking energy: -62.667
Base-Backbone interact. energy: -0.292
local terms energy: -71.109777
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -168.702350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.702350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.702350 (E_RNA)
where:
Base-Base interactions energy: -96.678
where: short stacking energy: -61.710
Base-Backbone interact. energy: -0.048
local terms energy: -71.976099
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -190.250295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.250295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.250295 (E_RNA)
where:
Base-Base interactions energy: -114.665
where: short stacking energy: -71.040
Base-Backbone interact. energy: -0.566
local terms energy: -75.019194
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -21.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -159.253767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.253767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.253767 (E_RNA)
where:
Base-Base interactions energy: -90.484
where: short stacking energy: -54.826
Base-Backbone interact. energy: -0.319
local terms energy: -68.451034
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -107.247538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.247538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.247538 (E_RNA)
where:
Base-Base interactions energy: -49.419
where: short stacking energy: -46.164
Base-Backbone interact. energy: -0.102
local terms energy: -57.725825
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -11.311
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -9.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -85.438654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.438654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.438654 (E_RNA)
where:
Base-Base interactions energy: -30.022
where: short stacking energy: -30.022
Base-Backbone interact. energy: -0.131
local terms energy: -55.285737
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -92.055577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.055577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.055577 (E_RNA)
where:
Base-Base interactions energy: -37.641
where: short stacking energy: -37.191
Base-Backbone interact. energy: -0.255
local terms energy: -54.159633
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -86.955427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.955427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.955427 (E_RNA)
where:
Base-Base interactions energy: -36.985
where: short stacking energy: -36.985
Base-Backbone interact. energy: -0.002
local terms energy: -49.968892
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -88.792723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.792723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.792723 (E_RNA)
where:
Base-Base interactions energy: -36.773
where: short stacking energy: -32.897
Base-Backbone interact. energy: -0.127
local terms energy: -51.892775
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -196.854935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.854935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.854935 (E_RNA)
where:
Base-Base interactions energy: -124.539
where: short stacking energy: -65.962
Base-Backbone interact. energy: -0.469
local terms energy: -71.846894
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -195.881671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.881671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.881671 (E_RNA)
where:
Base-Base interactions energy: -128.456
where: short stacking energy: -56.773
Base-Backbone interact. energy: -0.089
local terms energy: -67.336792
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -15.196
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: 32
Temperature: 1.000000
Total energy: -184.431716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.431716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.431716 (E_RNA)
where:
Base-Base interactions energy: -111.155
where: short stacking energy: -63.316
Base-Backbone interact. energy: -0.001
local terms energy: -73.276095
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -163.744582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.744582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.744582 (E_RNA)
where:
Base-Base interactions energy: -99.080
where: short stacking energy: -61.406
Base-Backbone interact. energy: -0.129
local terms energy: -64.535987
where:
bonds (distance) C4'-P energy: -8.391
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -15.035
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: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -152.597803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.597803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.597803 (E_RNA)
where:
Base-Base interactions energy: -93.985
where: short stacking energy: -49.587
Base-Backbone interact. energy: -0.092
local terms energy: -58.520768
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -98.761245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.761245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.761245 (E_RNA)
where:
Base-Base interactions energy: -44.224
where: short stacking energy: -44.224
Base-Backbone interact. energy: -0.001
local terms energy: -54.536068
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -106.128892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.128892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.128892 (E_RNA)
where:
Base-Base interactions energy: -45.673
where: short stacking energy: -45.673
Base-Backbone interact. energy: -0.004
local terms energy: -60.452351
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.782
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: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -92.695495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.695495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.695495 (E_RNA)
where:
Base-Base interactions energy: -44.959
where: short stacking energy: -41.938
Base-Backbone interact. energy: -0.234
local terms energy: -47.502379
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -7.881
flat angles P-C4'-P energy: -3.602
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -105.953207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.953207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.953207 (E_RNA)
where:
Base-Base interactions energy: -40.907
where: short stacking energy: -40.456
Base-Backbone interact. energy: -0.059
local terms energy: -64.987159
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -9.319
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: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -74.698964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.698964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.698964 (E_RNA)
where:
Base-Base interactions energy: -39.544
where: short stacking energy: -28.736
Base-Backbone interact. energy: -0.160
local terms energy: -34.995013
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: 3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -197.105076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.105076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.105076 (E_RNA)
where:
Base-Base interactions energy: -130.872
where: short stacking energy: -64.925
Base-Backbone interact. energy: -0.257
local terms energy: -65.976169
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -206.442727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.442727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.442727 (E_RNA)
where:
Base-Base interactions energy: -137.112
where: short stacking energy: -64.986
Base-Backbone interact. energy: -0.117
local terms energy: -69.213471
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -17.565
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: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -181.575764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.575764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.575764 (E_RNA)
where:
Base-Base interactions energy: -117.283
where: short stacking energy: -57.727
Base-Backbone interact. energy: -0.092
local terms energy: -64.200661
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -164.337588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.337588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.337588 (E_RNA)
where:
Base-Base interactions energy: -98.775
where: short stacking energy: -54.688
Base-Backbone interact. energy: -0.172
local terms energy: -65.391038
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -8.573
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: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -164.286608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.286608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.286608 (E_RNA)
where:
Base-Base interactions energy: -99.868
where: short stacking energy: -49.761
Base-Backbone interact. energy: -0.282
local terms energy: -64.136074
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -10.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -109.951134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.951134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.951134 (E_RNA)
where:
Base-Base interactions energy: -45.093
where: short stacking energy: -45.093
Base-Backbone interact. energy: -0.018
local terms energy: -64.839762
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -9.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -94.040713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.040713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.040713 (E_RNA)
where:
Base-Base interactions energy: -36.689
where: short stacking energy: -36.439
Base-Backbone interact. energy: -0.139
local terms energy: -57.212730
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -102.546404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.546404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.546404 (E_RNA)
where:
Base-Base interactions energy: -53.714
where: short stacking energy: -37.201
Base-Backbone interact. energy: 0.839
local terms energy: -49.671655
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -83.528189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.528189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.528189 (E_RNA)
where:
Base-Base interactions energy: -37.157
where: short stacking energy: -23.806
Base-Backbone interact. energy: -0.987
local terms energy: -45.384010
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -0.722
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: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -88.443588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.443588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.443588 (E_RNA)
where:
Base-Base interactions energy: -34.700
where: short stacking energy: -32.256
Base-Backbone interact. energy: -0.134
local terms energy: -53.609717
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -202.387868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.387868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.387868 (E_RNA)
where:
Base-Base interactions energy: -130.813
where: short stacking energy: -71.553
Base-Backbone interact. energy: -0.223
local terms energy: -71.351767
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -186.088510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088510 (E_RNA)
where:
Base-Base interactions energy: -113.989
where: short stacking energy: -61.770
Base-Backbone interact. energy: -0.409
local terms energy: -71.690904
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -174.847133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.847133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.847133 (E_RNA)
where:
Base-Base interactions energy: -106.490
where: short stacking energy: -65.200
Base-Backbone interact. energy: -0.883
local terms energy: -67.473913
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -11.561
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: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -193.076957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.076957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.076957 (E_RNA)
where:
Base-Base interactions energy: -134.294
where: short stacking energy: -58.363
Base-Backbone interact. energy: -0.082
local terms energy: -58.701019
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -11.265
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: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -159.358617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.358617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.358617 (E_RNA)
where:
Base-Base interactions energy: -95.096
where: short stacking energy: -55.213
Base-Backbone interact. energy: -0.292
local terms energy: -63.971061
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -92.327959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.327959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.327959 (E_RNA)
where:
Base-Base interactions energy: -34.505
where: short stacking energy: -32.625
Base-Backbone interact. energy: 0.995
local terms energy: -58.818048
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -96.062733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.062733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.062733 (E_RNA)
where:
Base-Base interactions energy: -39.367
where: short stacking energy: -39.354
Base-Backbone interact. energy: 0.504
local terms energy: -57.200001
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -99.857328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.857328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.857328 (E_RNA)
where:
Base-Base interactions energy: -50.339
where: short stacking energy: -37.079
Base-Backbone interact. energy: 0.797
local terms energy: -50.315526
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -81.445179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.445179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.445179 (E_RNA)
where:
Base-Base interactions energy: -29.306
where: short stacking energy: -28.721
Base-Backbone interact. energy: -0.009
local terms energy: -52.130240
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -89.502360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.502360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.502360 (E_RNA)
where:
Base-Base interactions energy: -47.147
where: short stacking energy: -30.342
Base-Backbone interact. energy: -0.172
local terms energy: -42.183002
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -208.155558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.155558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.155558 (E_RNA)
where:
Base-Base interactions energy: -127.715
where: short stacking energy: -68.067
Base-Backbone interact. energy: -0.500
local terms energy: -79.940967
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -181.242580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.242580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.242580 (E_RNA)
where:
Base-Base interactions energy: -106.259
where: short stacking energy: -63.481
Base-Backbone interact. energy: -0.037
local terms energy: -74.946602
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -16.880
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: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -172.607145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.607145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.607145 (E_RNA)
where:
Base-Base interactions energy: -103.076
where: short stacking energy: -62.231
Base-Backbone interact. energy: -1.153
local terms energy: -68.378521
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -17.890
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: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -168.666680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.666680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.666680 (E_RNA)
where:
Base-Base interactions energy: -101.228
where: short stacking energy: -37.053
Base-Backbone interact. energy: -0.669
local terms energy: -66.770157
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -8.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -161.915494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.915494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.915494 (E_RNA)
where:
Base-Base interactions energy: -94.000
where: short stacking energy: -53.971
Base-Backbone interact. energy: -0.478
local terms energy: -67.437124
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -96.690670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.690670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.690670 (E_RNA)
where:
Base-Base interactions energy: -43.522
where: short stacking energy: -35.107
Base-Backbone interact. energy: 1.219
local terms energy: -54.388126
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -6.157
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: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -96.111707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.111707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.111707 (E_RNA)
where:
Base-Base interactions energy: -48.190
where: short stacking energy: -35.185
Base-Backbone interact. energy: -0.104
local terms energy: -47.817900
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -2.127
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -84.174406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.174406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.174406 (E_RNA)
where:
Base-Base interactions energy: -33.917
where: short stacking energy: -31.882
Base-Backbone interact. energy: -0.049
local terms energy: -50.208831
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -86.815182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.815182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.815182 (E_RNA)
where:
Base-Base interactions energy: -40.155
where: short stacking energy: -31.222
Base-Backbone interact. energy: -0.428
local terms energy: -46.232944
where:
bonds (distance) C4'-P energy: -5.331
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -5.215
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: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -75.025105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.025105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.025105 (E_RNA)
where:
Base-Base interactions energy: -28.410
where: short stacking energy: -28.410
Base-Backbone interact. energy: -0.128
local terms energy: -46.487225
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -212.352237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.352237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.352237 (E_RNA)
where:
Base-Base interactions energy: -134.307
where: short stacking energy: -58.505
Base-Backbone interact. energy: -0.494
local terms energy: -77.551854
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -185.022948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.022948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.022948 (E_RNA)
where:
Base-Base interactions energy: -118.292
where: short stacking energy: -70.651
Base-Backbone interact. energy: -0.188
local terms energy: -66.542947
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -6.058
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: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -179.918015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.918015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.918015 (E_RNA)
where:
Base-Base interactions energy: -123.616
where: short stacking energy: -51.527
Base-Backbone interact. energy: -0.027
local terms energy: -56.274104
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -175.159897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.159897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.159897 (E_RNA)
where:
Base-Base interactions energy: -106.483
where: short stacking energy: -46.618
Base-Backbone interact. energy: -0.399
local terms energy: -68.277802
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -163.735652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.735652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.735652 (E_RNA)
where:
Base-Base interactions energy: -96.712
where: short stacking energy: -49.263
Base-Backbone interact. energy: -1.261
local terms energy: -65.763020
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -9.103
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: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -101.926144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.926144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.926144 (E_RNA)
where:
Base-Base interactions energy: -48.400
where: short stacking energy: -31.463
Base-Backbone interact. energy: -0.392
local terms energy: -53.133630
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -95.287836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.287836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.287836 (E_RNA)
where:
Base-Base interactions energy: -33.736
where: short stacking energy: -33.736
Base-Backbone interact. energy: -0.140
local terms energy: -61.411555
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -93.244471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.244471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.244471 (E_RNA)
where:
Base-Base interactions energy: -36.371
where: short stacking energy: -29.572
Base-Backbone interact. energy: -0.272
local terms energy: -56.600703
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -6.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -79.281300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.281300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.281300 (E_RNA)
where:
Base-Base interactions energy: -25.117
where: short stacking energy: -25.117
Base-Backbone interact. energy: -0.112
local terms energy: -54.051878
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -85.669931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.669931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.669931 (E_RNA)
where:
Base-Base interactions energy: -29.301
where: short stacking energy: -26.906
Base-Backbone interact. energy: -0.471
local terms energy: -55.898397
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -217.212986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.212986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.212986 (E_RNA)
where:
Base-Base interactions energy: -148.477
where: short stacking energy: -57.739
Base-Backbone interact. energy: -0.056
local terms energy: -68.679444
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -9.344
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: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -175.382766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.382766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.382766 (E_RNA)
where:
Base-Base interactions energy: -105.843
where: short stacking energy: -56.461
Base-Backbone interact. energy: -0.090
local terms energy: -69.450208
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -187.863281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.863281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.863281 (E_RNA)
where:
Base-Base interactions energy: -125.527
where: short stacking energy: -61.187
Base-Backbone interact. energy: -0.054
local terms energy: -62.281472
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -10.290
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: 37
Temperature: 1.050000
Total energy: -151.817343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.817343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.817343 (E_RNA)
where:
Base-Base interactions energy: -92.221
where: short stacking energy: -51.283
Base-Backbone interact. energy: 0.728
local terms energy: -60.324277
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -10.067
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: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -140.334999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.334999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.334999 (E_RNA)
where:
Base-Base interactions energy: -90.444
where: short stacking energy: -40.419
Base-Backbone interact. energy: -0.264
local terms energy: -49.626803
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -95.817119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.817119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.817119 (E_RNA)
where:
Base-Base interactions energy: -42.208
where: short stacking energy: -38.916
Base-Backbone interact. energy: -0.049
local terms energy: -53.560427
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -6.216
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -103.380595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.380595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.380595 (E_RNA)
where:
Base-Base interactions energy: -37.557
where: short stacking energy: -35.750
Base-Backbone interact. energy: 0.592
local terms energy: -66.415710
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -82.308452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.308452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.308452 (E_RNA)
where:
Base-Base interactions energy: -33.141
where: short stacking energy: -25.862
Base-Backbone interact. energy: -0.490
local terms energy: -48.677208
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: 0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -78.024854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.024854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.024854 (E_RNA)
where:
Base-Base interactions energy: -35.998
where: short stacking energy: -35.998
Base-Backbone interact. energy: -0.169
local terms energy: -41.858276
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -5.798
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -0.318
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: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -75.406767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.406767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.406767 (E_RNA)
where:
Base-Base interactions energy: -27.791
where: short stacking energy: -26.279
Base-Backbone interact. energy: -0.905
local terms energy: -46.710487
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -1.167
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -219.386340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.386340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.386340 (E_RNA)
where:
Base-Base interactions energy: -151.745
where: short stacking energy: -54.767
Base-Backbone interact. energy: 1.228
local terms energy: -68.868956
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -184.964662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.964662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.964662 (E_RNA)
where:
Base-Base interactions energy: -120.807
where: short stacking energy: -63.967
Base-Backbone interact. energy: -0.129
local terms energy: -64.028707
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -15.898
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: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -193.593600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.593600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.593600 (E_RNA)
where:
Base-Base interactions energy: -124.466
where: short stacking energy: -72.114
Base-Backbone interact. energy: -0.003
local terms energy: -69.124647
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -16.469
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: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -160.335431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.335431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.335431 (E_RNA)
where:
Base-Base interactions energy: -100.371
where: short stacking energy: -58.913
Base-Backbone interact. energy: -0.144
local terms energy: -59.819579
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -145.356565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.356565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.356565 (E_RNA)
where:
Base-Base interactions energy: -93.496
where: short stacking energy: -49.873
Base-Backbone interact. energy: -0.729
local terms energy: -51.131235
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -114.030376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.030376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.030376 (E_RNA)
where:
Base-Base interactions energy: -51.710
where: short stacking energy: -51.710
Base-Backbone interact. energy: -0.025
local terms energy: -62.295234
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -99.206663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.206663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.206663 (E_RNA)
where:
Base-Base interactions energy: -36.660
where: short stacking energy: -36.660
Base-Backbone interact. energy: -0.013
local terms energy: -62.533913
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -86.256291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.256291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.256291 (E_RNA)
where:
Base-Base interactions energy: -34.446
where: short stacking energy: -26.437
Base-Backbone interact. energy: -0.125
local terms energy: -51.685935
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -7.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -81.021871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.021871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.021871 (E_RNA)
where:
Base-Base interactions energy: -28.658
where: short stacking energy: -25.212
Base-Backbone interact. energy: -0.083
local terms energy: -52.281095
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -76.759190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.759190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.759190 (E_RNA)
where:
Base-Base interactions energy: -22.669
where: short stacking energy: -20.847
Base-Backbone interact. energy: -0.087
local terms energy: -54.003147
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -215.822228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.822228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.822228 (E_RNA)
where:
Base-Base interactions energy: -150.410
where: short stacking energy: -53.087
Base-Backbone interact. energy: -1.031
local terms energy: -64.381758
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -13.675
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: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -198.772778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.772778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.772778 (E_RNA)
where:
Base-Base interactions energy: -128.822
where: short stacking energy: -66.123
Base-Backbone interact. energy: -0.206
local terms energy: -69.744668
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -180.212138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.212138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.212138 (E_RNA)
where:
Base-Base interactions energy: -103.854
where: short stacking energy: -64.216
Base-Backbone interact. energy: -0.178
local terms energy: -76.180557
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -166.498287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.498287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.498287 (E_RNA)
where:
Base-Base interactions energy: -102.426
where: short stacking energy: -46.747
Base-Backbone interact. energy: -0.329
local terms energy: -63.743502
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -158.299092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.299092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.299092 (E_RNA)
where:
Base-Base interactions energy: -93.340
where: short stacking energy: -50.845
Base-Backbone interact. energy: -0.693
local terms energy: -64.266365
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -102.655834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.655834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.655834 (E_RNA)
where:
Base-Base interactions energy: -44.755
where: short stacking energy: -44.315
Base-Backbone interact. energy: -0.225
local terms energy: -57.675509
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -11.202
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: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -91.460746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.460746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.460746 (E_RNA)
where:
Base-Base interactions energy: -41.275
where: short stacking energy: -39.026
Base-Backbone interact. energy: -0.273
local terms energy: -49.913031
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -6.435
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -7.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -93.458181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.458181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.458181 (E_RNA)
where:
Base-Base interactions energy: -40.444
where: short stacking energy: -40.444
Base-Backbone interact. energy: -0.011
local terms energy: -53.002976
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -81.361110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.361110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.361110 (E_RNA)
where:
Base-Base interactions energy: -36.088
where: short stacking energy: -22.915
Base-Backbone interact. energy: -1.110
local terms energy: -44.162884
where:
bonds (distance) C4'-P energy: -5.148
bonds (distance) P-C4' energy: -6.297
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -83.165303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.165303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.165303 (E_RNA)
where:
Base-Base interactions energy: -39.700
where: short stacking energy: -39.700
Base-Backbone interact. energy: -0.044
local terms energy: -43.421795
where:
bonds (distance) C4'-P energy: -7.250
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -6.106
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -199.811310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.811310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.811310 (E_RNA)
where:
Base-Base interactions energy: -120.026
where: short stacking energy: -70.913
Base-Backbone interact. energy: -0.013
local terms energy: -79.771700
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -21.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -209.422073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.422073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.422073 (E_RNA)
where:
Base-Base interactions energy: -144.878
where: short stacking energy: -52.274
Base-Backbone interact. energy: -0.088
local terms energy: -64.456010
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -3.280
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -172.869157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.869157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.869157 (E_RNA)
where:
Base-Base interactions energy: -102.126
where: short stacking energy: -50.824
Base-Backbone interact. energy: -0.021
local terms energy: -70.722029
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -160.183932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.183932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.183932 (E_RNA)
where:
Base-Base interactions energy: -97.248
where: short stacking energy: -48.470
Base-Backbone interact. energy: -0.457
local terms energy: -62.478424
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -158.220259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.220259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.220259 (E_RNA)
where:
Base-Base interactions energy: -94.751
where: short stacking energy: -40.537
Base-Backbone interact. energy: -0.091
local terms energy: -63.378208
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -91.223162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.223162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.223162 (E_RNA)
where:
Base-Base interactions energy: -40.754
where: short stacking energy: -40.754
Base-Backbone interact. energy: -0.064
local terms energy: -50.405400
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -94.050288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.050288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.050288 (E_RNA)
where:
Base-Base interactions energy: -38.236
where: short stacking energy: -35.473
Base-Backbone interact. energy: -0.454
local terms energy: -55.360594
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -10.479
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: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -90.745791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.745791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.745791 (E_RNA)
where:
Base-Base interactions energy: -42.756
where: short stacking energy: -29.853
Base-Backbone interact. energy: -0.182
local terms energy: -47.807725
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: 1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -93.357570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.357570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.357570 (E_RNA)
where:
Base-Base interactions energy: -40.138
where: short stacking energy: -23.957
Base-Backbone interact. energy: -0.222
local terms energy: -52.997889
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -74.816061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.816061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.816061 (E_RNA)
where:
Base-Base interactions energy: -35.261
where: short stacking energy: -33.660
Base-Backbone interact. energy: -0.159
local terms energy: -39.396249
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -9.366
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -2.092
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -195.238034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.238034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.238034 (E_RNA)
where:
Base-Base interactions energy: -122.740
where: short stacking energy: -65.199
Base-Backbone interact. energy: -0.172
local terms energy: -72.325342
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -10.507
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: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -206.991738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.991738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.991738 (E_RNA)
where:
Base-Base interactions energy: -142.250
where: short stacking energy: -64.280
Base-Backbone interact. energy: 0.957
local terms energy: -65.698315
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -11.635
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: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -181.694833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.694833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.694833 (E_RNA)
where:
Base-Base interactions energy: -111.341
where: short stacking energy: -65.362
Base-Backbone interact. energy: -0.105
local terms energy: -70.248281
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -168.331908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.331908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.331908 (E_RNA)
where:
Base-Base interactions energy: -107.379
where: short stacking energy: -51.607
Base-Backbone interact. energy: 0.044
local terms energy: -60.996002
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -8.940
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -164.360427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.360427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.360427 (E_RNA)
where:
Base-Base interactions energy: -101.070
where: short stacking energy: -53.278
Base-Backbone interact. energy: -0.012
local terms energy: -63.278318
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -104.200948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.200948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.200948 (E_RNA)
where:
Base-Base interactions energy: -41.797
where: short stacking energy: -41.797
Base-Backbone interact. energy: -0.106
local terms energy: -62.297943
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -91.727321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.727321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.727321 (E_RNA)
where:
Base-Base interactions energy: -52.273
where: short stacking energy: -38.072
Base-Backbone interact. energy: -0.127
local terms energy: -39.327013
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -9.608
flat angles C4'-P-C4' energy: -5.460
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -3.378
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: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -85.536536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.536536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.536536 (E_RNA)
where:
Base-Base interactions energy: -40.599
where: short stacking energy: -33.121
Base-Backbone interact. energy: 0.250
local terms energy: -45.187551
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -81.310075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.310075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.310075 (E_RNA)
where:
Base-Base interactions energy: -37.574
where: short stacking energy: -37.574
Base-Backbone interact. energy: -0.024
local terms energy: -43.712678
where:
bonds (distance) C4'-P energy: -5.649
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -6.243
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: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -87.248927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.248927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.248927 (E_RNA)
where:
Base-Base interactions energy: -40.561
where: short stacking energy: -34.287
Base-Backbone interact. energy: -0.018
local terms energy: -46.669942
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: 0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -195.472534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.472534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.472534 (E_RNA)
where:
Base-Base interactions energy: -119.776
where: short stacking energy: -70.240
Base-Backbone interact. energy: -0.220
local terms energy: -75.476972
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -17.231
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: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -200.587681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.587681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.587681 (E_RNA)
where:
Base-Base interactions energy: -138.145
where: short stacking energy: -61.153
Base-Backbone interact. energy: -0.035
local terms energy: -62.408214
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -169.424157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.424157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.424157 (E_RNA)
where:
Base-Base interactions energy: -99.057
where: short stacking energy: -53.945
Base-Backbone interact. energy: 0.483
local terms energy: -70.849593
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -156.508798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.508798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.508798 (E_RNA)
where:
Base-Base interactions energy: -99.941
where: short stacking energy: -42.129
Base-Backbone interact. energy: 2.058
local terms energy: -58.625328
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -138.974771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.974771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.974771 (E_RNA)
where:
Base-Base interactions energy: -79.223
where: short stacking energy: -41.427
Base-Backbone interact. energy: 0.139
local terms energy: -59.891250
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -152.506272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.506272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.506272 (E_RNA)
where:
Base-Base interactions energy: -87.338
where: short stacking energy: -51.943
Base-Backbone interact. energy: -1.098
local terms energy: -64.069831
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -15.556
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: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -90.889374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.889374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.889374 (E_RNA)
where:
Base-Base interactions energy: -35.205
where: short stacking energy: -29.731
Base-Backbone interact. energy: -0.221
local terms energy: -55.462701
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -8.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -82.976981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.976981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.976981 (E_RNA)
where:
Base-Base interactions energy: -42.786
where: short stacking energy: -27.519
Base-Backbone interact. energy: 0.701
local terms energy: -40.892450
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: 1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -99.420097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.420097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.420097 (E_RNA)
where:
Base-Base interactions energy: -52.268
where: short stacking energy: -27.945
Base-Backbone interact. energy: -0.071
local terms energy: -47.081266
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -74.417331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.417331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.417331 (E_RNA)
where:
Base-Base interactions energy: -26.609
where: short stacking energy: -25.327
Base-Backbone interact. energy: -0.131
local terms energy: -47.677902
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -0.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -199.460853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.460853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.460853 (E_RNA)
where:
Base-Base interactions energy: -121.553
where: short stacking energy: -72.703
Base-Backbone interact. energy: -0.056
local terms energy: -77.852105
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -11.507
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: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -204.039180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.039180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.039180 (E_RNA)
where:
Base-Base interactions energy: -134.328
where: short stacking energy: -58.009
Base-Backbone interact. energy: -0.023
local terms energy: -69.688027
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -172.461494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.461494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.461494 (E_RNA)
where:
Base-Base interactions energy: -99.521
where: short stacking energy: -61.435
Base-Backbone interact. energy: -0.534
local terms energy: -72.406502
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -18.348
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: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -164.629360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.629360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.629360 (E_RNA)
where:
Base-Base interactions energy: -106.196
where: short stacking energy: -46.765
Base-Backbone interact. energy: -0.249
local terms energy: -58.185012
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -9.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -125.101107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.101107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.101107 (E_RNA)
where:
Base-Base interactions energy: -69.223
where: short stacking energy: -33.328
Base-Backbone interact. energy: -0.557
local terms energy: -55.320397
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -148.839799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.839799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.839799 (E_RNA)
where:
Base-Base interactions energy: -85.368
where: short stacking energy: -41.390
Base-Backbone interact. energy: -0.086
local terms energy: -63.386179
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -94.028233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.028233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.028233 (E_RNA)
where:
Base-Base interactions energy: -39.384
where: short stacking energy: -39.384
Base-Backbone interact. energy: 0.042
local terms energy: -54.686126
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -77.833775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.833775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.833775 (E_RNA)
where:
Base-Base interactions energy: -29.152
where: short stacking energy: -26.311
Base-Backbone interact. energy: -0.028
local terms energy: -48.654152
where:
bonds (distance) C4'-P energy: -7.925
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -3.726
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: 43
Temperature: 1.300000
Total energy: -95.770817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.770817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.770817 (E_RNA)
where:
Base-Base interactions energy: -46.655
where: short stacking energy: -29.121
Base-Backbone interact. energy: -0.323
local terms energy: -48.792194
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -79.522362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.522362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.522362 (E_RNA)
where:
Base-Base interactions energy: -30.426
where: short stacking energy: -26.963
Base-Backbone interact. energy: -0.597
local terms energy: -48.499628
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -205.254106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.254106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.254106 (E_RNA)
where:
Base-Base interactions energy: -132.436
where: short stacking energy: -63.266
Base-Backbone interact. energy: -0.501
local terms energy: -72.317491
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -188.661903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.661903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.661903 (E_RNA)
where:
Base-Base interactions energy: -125.333
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.603
local terms energy: -62.726340
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -180.657121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.657121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.657121 (E_RNA)
where:
Base-Base interactions energy: -117.688
where: short stacking energy: -50.167
Base-Backbone interact. energy: -1.549
local terms energy: -61.420996
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -11.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -182.221178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.221178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.221178 (E_RNA)
where:
Base-Base interactions energy: -116.732
where: short stacking energy: -53.091
Base-Backbone interact. energy: -0.278
local terms energy: -65.210756
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -11.510
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: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -155.788658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.788658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.788658 (E_RNA)
where:
Base-Base interactions energy: -88.698
where: short stacking energy: -50.004
Base-Backbone interact. energy: -0.189
local terms energy: -66.901480
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -11.751
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: 44
Temperature: 1.150000
Total energy: -99.886609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.886609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.886609 (E_RNA)
where:
Base-Base interactions energy: -48.068
where: short stacking energy: -42.500
Base-Backbone interact. energy: 0.036
local terms energy: -51.854251
where:
bonds (distance) C4'-P energy: -5.744
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -86.879081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.879081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.879081 (E_RNA)
where:
Base-Base interactions energy: -39.979
where: short stacking energy: -31.769
Base-Backbone interact. energy: -0.184
local terms energy: -46.716206
where:
bonds (distance) C4'-P energy: -6.167
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -89.468169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.468169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.468169 (E_RNA)
where:
Base-Base interactions energy: -38.599
where: short stacking energy: -34.841
Base-Backbone interact. energy: -0.049
local terms energy: -50.820308
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -83.602681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.602681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.602681 (E_RNA)
where:
Base-Base interactions energy: -35.679
where: short stacking energy: -32.338
Base-Backbone interact. energy: 1.455
local terms energy: -49.378636
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -79.791496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.791496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.791496 (E_RNA)
where:
Base-Base interactions energy: -32.430
where: short stacking energy: -18.117
Base-Backbone interact. energy: -0.124
local terms energy: -47.237293
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -210.689952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.689952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.689952 (E_RNA)
where:
Base-Base interactions energy: -143.497
where: short stacking energy: -60.865
Base-Backbone interact. energy: -1.069
local terms energy: -66.124076
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -11.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -197.498147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.498147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.498147 (E_RNA)
where:
Base-Base interactions energy: -118.034
where: short stacking energy: -59.628
Base-Backbone interact. energy: -0.004
local terms energy: -79.460519
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -15.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -200.649852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.649852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.649852 (E_RNA)
where:
Base-Base interactions energy: -127.778
where: short stacking energy: -58.179
Base-Backbone interact. energy: -0.075
local terms energy: -72.796662
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -15.743
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: 45
Temperature: 1.050000
Total energy: -184.628589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.628589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.628589 (E_RNA)
where:
Base-Base interactions energy: -120.337
where: short stacking energy: -58.214
Base-Backbone interact. energy: 0.371
local terms energy: -64.662945
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -158.785370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.785370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.785370 (E_RNA)
where:
Base-Base interactions energy: -96.413
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.030
local terms energy: -62.341647
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -105.023249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.023249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.023249 (E_RNA)
where:
Base-Base interactions energy: -42.390
where: short stacking energy: -38.277
Base-Backbone interact. energy: -0.509
local terms energy: -62.124025
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -94.753117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.753117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.753117 (E_RNA)
where:
Base-Base interactions energy: -40.045
where: short stacking energy: -33.300
Base-Backbone interact. energy: 0.027
local terms energy: -54.735123
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: 0.389
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: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -87.361189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.361189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.361189 (E_RNA)
where:
Base-Base interactions energy: -32.810
where: short stacking energy: -30.177
Base-Backbone interact. energy: -0.074
local terms energy: -54.477855
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -1.064
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: 3
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -76.180723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.180723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.180723 (E_RNA)
where:
Base-Base interactions energy: -24.638
where: short stacking energy: -24.638
Base-Backbone interact. energy: -0.202
local terms energy: -51.340407
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -83.973095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.973095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.973095 (E_RNA)
where:
Base-Base interactions energy: -27.658
where: short stacking energy: -25.620
Base-Backbone interact. energy: -0.820
local terms energy: -55.495450
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -206.254646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.254646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.254646 (E_RNA)
where:
Base-Base interactions energy: -127.180
where: short stacking energy: -71.038
Base-Backbone interact. energy: -0.011
local terms energy: -79.063861
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -207.577607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.577607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.577607 (E_RNA)
where:
Base-Base interactions energy: -138.569
where: short stacking energy: -50.682
Base-Backbone interact. energy: -0.091
local terms energy: -68.917574
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -197.072968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.072968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.072968 (E_RNA)
where:
Base-Base interactions energy: -131.285
where: short stacking energy: -64.873
Base-Backbone interact. energy: 0.280
local terms energy: -66.068009
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -16.755
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: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -188.286130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.286130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.286130 (E_RNA)
where:
Base-Base interactions energy: -130.657
where: short stacking energy: -57.252
Base-Backbone interact. energy: -0.382
local terms energy: -57.246809
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -9.155
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -14.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -162.909685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.909685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.909685 (E_RNA)
where:
Base-Base interactions energy: -99.413
where: short stacking energy: -56.873
Base-Backbone interact. energy: -3.225
local terms energy: -60.271757
where:
bonds (distance) C4'-P energy: -7.403
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -12.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -94.777930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.777930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.777930 (E_RNA)
where:
Base-Base interactions energy: -44.538
where: short stacking energy: -36.529
Base-Backbone interact. energy: -0.044
local terms energy: -50.195977
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -96.739696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.739696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.739696 (E_RNA)
where:
Base-Base interactions energy: -41.736
where: short stacking energy: -27.988
Base-Backbone interact. energy: -0.206
local terms energy: -54.797514
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -92.955279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.955279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.955279 (E_RNA)
where:
Base-Base interactions energy: -45.222
where: short stacking energy: -27.211
Base-Backbone interact. energy: -1.379
local terms energy: -46.354114
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -2.513
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: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -90.706996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.706996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.706996 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -34.358
Base-Backbone interact. energy: 0.356
local terms energy: -56.604736
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -3.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -75.587617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.587617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.587617 (E_RNA)
where:
Base-Base interactions energy: -24.748
where: short stacking energy: -21.749
Base-Backbone interact. energy: 0.620
local terms energy: -51.459317
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -209.518004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.518004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.518004 (E_RNA)
where:
Base-Base interactions energy: -129.846
where: short stacking energy: -66.822
Base-Backbone interact. energy: -0.057
local terms energy: -79.615639
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -206.181850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.181850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.181850 (E_RNA)
where:
Base-Base interactions energy: -127.695
where: short stacking energy: -70.363
Base-Backbone interact. energy: -0.015
local terms energy: -78.471383
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -194.642093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.642093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.642093 (E_RNA)
where:
Base-Base interactions energy: -124.961
where: short stacking energy: -64.551
Base-Backbone interact. energy: 0.678
local terms energy: -70.358973
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -17.495
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: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -194.375683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.375683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.375683 (E_RNA)
where:
Base-Base interactions energy: -128.132
where: short stacking energy: -54.426
Base-Backbone interact. energy: -0.478
local terms energy: -65.765714
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -15.841
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: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -167.188253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.188253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.188253 (E_RNA)
where:
Base-Base interactions energy: -101.946
where: short stacking energy: -59.353
Base-Backbone interact. energy: -0.016
local terms energy: -65.225345
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -10.068
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -17.872
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: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -102.164651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.164651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.164651 (E_RNA)
where:
Base-Base interactions energy: -46.509
where: short stacking energy: -43.527
Base-Backbone interact. energy: -0.005
local terms energy: -55.651122
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -9.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -102.954111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.954111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.954111 (E_RNA)
where:
Base-Base interactions energy: -51.761
where: short stacking energy: -32.161
Base-Backbone interact. energy: -0.211
local terms energy: -50.981970
where:
bonds (distance) C4'-P energy: -7.946
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -92.350824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.350824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.350824 (E_RNA)
where:
Base-Base interactions energy: -45.928
where: short stacking energy: -38.212
Base-Backbone interact. energy: -0.162
local terms energy: -46.260938
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -82.966554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.966554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.966554 (E_RNA)
where:
Base-Base interactions energy: -37.270
where: short stacking energy: -26.878
Base-Backbone interact. energy: -0.109
local terms energy: -45.587183
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -6.730
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -81.928951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.928951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.928951 (E_RNA)
where:
Base-Base interactions energy: -33.617
where: short stacking energy: -19.482
Base-Backbone interact. energy: -0.298
local terms energy: -48.013916
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: -5.226
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: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -204.402221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.402221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.402221 (E_RNA)
where:
Base-Base interactions energy: -134.938
where: short stacking energy: -64.655
Base-Backbone interact. energy: 0.575
local terms energy: -70.038821
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -14.322
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: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -197.132652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.132652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.132652 (E_RNA)
where:
Base-Base interactions energy: -124.934
where: short stacking energy: -69.694
Base-Backbone interact. energy: -0.013
local terms energy: -72.185998
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -8.341
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: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -194.159450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.159450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.159450 (E_RNA)
where:
Base-Base interactions energy: -126.202
where: short stacking energy: -61.890
Base-Backbone interact. energy: -1.509
local terms energy: -66.448410
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -195.925839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.925839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.925839 (E_RNA)
where:
Base-Base interactions energy: -133.186
where: short stacking energy: -65.247
Base-Backbone interact. energy: -0.137
local terms energy: -62.602409
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -143.921026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.921026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.921026 (E_RNA)
where:
Base-Base interactions energy: -78.525
where: short stacking energy: -40.236
Base-Backbone interact. energy: 1.262
local terms energy: -66.658484
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -103.801652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.801652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.801652 (E_RNA)
where:
Base-Base interactions energy: -49.934
where: short stacking energy: -40.526
Base-Backbone interact. energy: -0.112
local terms energy: -53.755494
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -7.819
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -87.487925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.487925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.487925 (E_RNA)
where:
Base-Base interactions energy: -28.135
where: short stacking energy: -26.017
Base-Backbone interact. energy: -0.094
local terms energy: -59.259073
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -89.541446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.541446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.541446 (E_RNA)
where:
Base-Base interactions energy: -39.299
where: short stacking energy: -32.038
Base-Backbone interact. energy: -0.359
local terms energy: -49.882991
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -90.784436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.784436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.784436 (E_RNA)
where:
Base-Base interactions energy: -36.496
where: short stacking energy: -35.467
Base-Backbone interact. energy: -0.575
local terms energy: -53.713499
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -76.916197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.916197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.916197 (E_RNA)
where:
Base-Base interactions energy: -31.237
where: short stacking energy: -30.966
Base-Backbone interact. energy: 0.358
local terms energy: -46.037291
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -5.813
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -208.534699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.534699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.534699 (E_RNA)
where:
Base-Base interactions energy: -119.712
where: short stacking energy: -62.036
Base-Backbone interact. energy: -0.178
local terms energy: -88.644799
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -206.156531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.156531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.156531 (E_RNA)
where:
Base-Base interactions energy: -128.215
where: short stacking energy: -59.720
Base-Backbone interact. energy: -1.866
local terms energy: -76.075413
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -210.560724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.560724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.560724 (E_RNA)
where:
Base-Base interactions energy: -130.108
where: short stacking energy: -66.813
Base-Backbone interact. energy: -0.001
local terms energy: -80.451942
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -14.044
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: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -201.875628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.875628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.875628 (E_RNA)
where:
Base-Base interactions energy: -125.159
where: short stacking energy: -62.345
Base-Backbone interact. energy: -2.419
local terms energy: -74.296785
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -14.100
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: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -152.934026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.934026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.934026 (E_RNA)
where:
Base-Base interactions energy: -85.183
where: short stacking energy: -51.514
Base-Backbone interact. energy: -0.350
local terms energy: -67.400616
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -10.958
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: 6, replica: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -108.494406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.494406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.494406 (E_RNA)
where:
Base-Base interactions energy: -50.718
where: short stacking energy: -39.227
Base-Backbone interact. energy: -0.281
local terms energy: -57.495468
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -92.224874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.224874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.224874 (E_RNA)
where:
Base-Base interactions energy: -39.979
where: short stacking energy: -27.779
Base-Backbone interact. energy: -0.555
local terms energy: -51.690228
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -3.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -93.330693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.330693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.330693 (E_RNA)
where:
Base-Base interactions energy: -38.017
where: short stacking energy: -33.795
Base-Backbone interact. energy: -0.111
local terms energy: -55.203069
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -94.185848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.185848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.185848 (E_RNA)
where:
Base-Base interactions energy: -41.214
where: short stacking energy: -41.214
Base-Backbone interact. energy: -0.511
local terms energy: -52.461019
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -95.480835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.480835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.480835 (E_RNA)
where:
Base-Base interactions energy: -46.301
where: short stacking energy: -38.091
Base-Backbone interact. energy: -0.183
local terms energy: -48.997048
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -204.190754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.190754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.190754 (E_RNA)
where:
Base-Base interactions energy: -133.322
where: short stacking energy: -70.090
Base-Backbone interact. energy: -0.255
local terms energy: -70.613636
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -6.947
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: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -205.581006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.581006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.581006 (E_RNA)
where:
Base-Base interactions energy: -124.755
where: short stacking energy: -69.477
Base-Backbone interact. energy: -0.822
local terms energy: -80.003345
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -20.937
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: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -186.158096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.158096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.158096 (E_RNA)
where:
Base-Base interactions energy: -115.782
where: short stacking energy: -62.179
Base-Backbone interact. energy: -0.028
local terms energy: -70.348440
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -207.075159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.075159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.075159 (E_RNA)
where:
Base-Base interactions energy: -125.761
where: short stacking energy: -67.425
Base-Backbone interact. energy: -0.002
local terms energy: -81.311664
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -23.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -154.599605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.599605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.599605 (E_RNA)
where:
Base-Base interactions energy: -93.156
where: short stacking energy: -52.773
Base-Backbone interact. energy: -0.473
local terms energy: -60.971385
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -11.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -102.920111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.920111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.920111 (E_RNA)
where:
Base-Base interactions energy: -42.380
where: short stacking energy: -42.279
Base-Backbone interact. energy: -0.029
local terms energy: -60.511828
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -9.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -104.216413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.216413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.216413 (E_RNA)
where:
Base-Base interactions energy: -52.591
where: short stacking energy: -35.067
Base-Backbone interact. energy: -1.035
local terms energy: -50.590732
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -82.014004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.014004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.014004 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -30.289
Base-Backbone interact. energy: 0.579
local terms energy: -49.756854
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -73.120333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.120333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.120333 (E_RNA)
where:
Base-Base interactions energy: -22.788
where: short stacking energy: -17.343
Base-Backbone interact. energy: -0.324
local terms energy: -50.008459
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: 1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -68.318442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.318442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.318442 (E_RNA)
where:
Base-Base interactions energy: -26.528
where: short stacking energy: -24.467
Base-Backbone interact. energy: -0.194
local terms energy: -41.596441
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -8.875
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -2.853
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: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -207.322165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.322165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.322165 (E_RNA)
where:
Base-Base interactions energy: -142.774
where: short stacking energy: -70.479
Base-Backbone interact. energy: -0.382
local terms energy: -64.166283
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -12.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -196.775381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.775381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.775381 (E_RNA)
where:
Base-Base interactions energy: -127.259
where: short stacking energy: -58.806
Base-Backbone interact. energy: -0.101
local terms energy: -69.415145
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -15.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -177.945059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.945059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.945059 (E_RNA)
where:
Base-Base interactions energy: -111.837
where: short stacking energy: -51.680
Base-Backbone interact. energy: -0.088
local terms energy: -66.020240
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -12.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -174.872534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.872534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.872534 (E_RNA)
where:
Base-Base interactions energy: -109.705
where: short stacking energy: -55.775
Base-Backbone interact. energy: -0.178
local terms energy: -64.989531
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -165.577195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.577195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.577195 (E_RNA)
where:
Base-Base interactions energy: -104.080
where: short stacking energy: -43.980
Base-Backbone interact. energy: -1.220
local terms energy: -60.277105
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -10.050
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: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -118.405588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.405588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.405588 (E_RNA)
where:
Base-Base interactions energy: -58.423
where: short stacking energy: -36.273
Base-Backbone interact. energy: -0.154
local terms energy: -59.828654
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -93.854980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.854980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.854980 (E_RNA)
where:
Base-Base interactions energy: -41.166
where: short stacking energy: -31.386
Base-Backbone interact. energy: 1.341
local terms energy: -54.030299
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -83.852087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.852087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.852087 (E_RNA)
where:
Base-Base interactions energy: -25.981
where: short stacking energy: -20.997
Base-Backbone interact. energy: -0.595
local terms energy: -57.276879
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -84.564830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.564830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.564830 (E_RNA)
where:
Base-Base interactions energy: -26.377
where: short stacking energy: -26.377
Base-Backbone interact. energy: -0.100
local terms energy: -58.087542
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -81.007969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.007969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.007969 (E_RNA)
where:
Base-Base interactions energy: -31.790
where: short stacking energy: -31.790
Base-Backbone interact. energy: -0.096
local terms energy: -49.122162
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -2.578
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -211.026110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.026110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.026110 (E_RNA)
where:
Base-Base interactions energy: -136.333
where: short stacking energy: -71.097
Base-Backbone interact. energy: -1.226
local terms energy: -73.467226
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -208.185993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.185993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.185993 (E_RNA)
where:
Base-Base interactions energy: -141.685
where: short stacking energy: -61.727
Base-Backbone interact. energy: 2.556
local terms energy: -69.056815
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -164.010876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.010876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.010876 (E_RNA)
where:
Base-Base interactions energy: -94.943
where: short stacking energy: -45.270
Base-Backbone interact. energy: -0.426
local terms energy: -68.641556
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -164.821644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.821644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.821644 (E_RNA)
where:
Base-Base interactions energy: -104.253
where: short stacking energy: -47.883
Base-Backbone interact. energy: -0.054
local terms energy: -60.515571
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -10.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -152.581324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.581324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.581324 (E_RNA)
where:
Base-Base interactions energy: -96.690
where: short stacking energy: -38.770
Base-Backbone interact. energy: 0.044
local terms energy: -55.935241
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -10.004
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: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -110.093061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.093061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.093061 (E_RNA)
where:
Base-Base interactions energy: -61.559
where: short stacking energy: -38.304
Base-Backbone interact. energy: -0.335
local terms energy: -48.199815
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -87.909032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.909032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.909032 (E_RNA)
where:
Base-Base interactions energy: -36.682
where: short stacking energy: -35.015
Base-Backbone interact. energy: 1.291
local terms energy: -52.517604
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -79.175583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.175583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.175583 (E_RNA)
where:
Base-Base interactions energy: -30.008
where: short stacking energy: -29.203
Base-Backbone interact. energy: 0.093
local terms energy: -49.260486
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -82.190492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.190492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.190492 (E_RNA)
where:
Base-Base interactions energy: -38.000
where: short stacking energy: -34.591
Base-Backbone interact. energy: -0.239
local terms energy: -43.951973
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -8.963
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: 1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -89.070409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.070409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.070409 (E_RNA)
where:
Base-Base interactions energy: -38.305
where: short stacking energy: -38.305
Base-Backbone interact. energy: -0.022
local terms energy: -50.743954
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -2.529
tors. eta vs tors. theta energy: -5.368
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: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -209.552634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.552634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.552634 (E_RNA)
where:
Base-Base interactions energy: -133.979
where: short stacking energy: -69.793
Base-Backbone interact. energy: -0.332
local terms energy: -75.241547
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -200.902957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.902957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.902957 (E_RNA)
where:
Base-Base interactions energy: -127.835
where: short stacking energy: -66.112
Base-Backbone interact. energy: 0.767
local terms energy: -73.835781
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -184.645061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.645061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.645061 (E_RNA)
where:
Base-Base interactions energy: -115.683
where: short stacking energy: -60.396
Base-Backbone interact. energy: -0.008
local terms energy: -68.953620
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -10.878
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: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -167.447062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.447062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.447062 (E_RNA)
where:
Base-Base interactions energy: -103.636
where: short stacking energy: -51.830
Base-Backbone interact. energy: -0.773
local terms energy: -63.038555
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -11.006
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: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -145.368284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.368284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.368284 (E_RNA)
where:
Base-Base interactions energy: -84.931
where: short stacking energy: -31.198
Base-Backbone interact. energy: -1.447
local terms energy: -58.990846
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -6.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -93.740250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.740250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.740250 (E_RNA)
where:
Base-Base interactions energy: -38.962
where: short stacking energy: -38.962
Base-Backbone interact. energy: -0.228
local terms energy: -54.549325
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -4.357
tors. eta vs tors. theta energy: -7.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -85.964496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.964496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.964496 (E_RNA)
where:
Base-Base interactions energy: -40.880
where: short stacking energy: -32.779
Base-Backbone interact. energy: 3.035
local terms energy: -48.119629
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: 0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -84.127761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.127761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.127761 (E_RNA)
where:
Base-Base interactions energy: -31.120
where: short stacking energy: -31.120
Base-Backbone interact. energy: -0.044
local terms energy: -52.963299
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -82.912836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.912836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.912836 (E_RNA)
where:
Base-Base interactions energy: -29.574
where: short stacking energy: -28.020
Base-Backbone interact. energy: -0.144
local terms energy: -53.194600
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -3.373
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -92.249356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.249356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.249356 (E_RNA)
where:
Base-Base interactions energy: -39.013
where: short stacking energy: -30.691
Base-Backbone interact. energy: -0.252
local terms energy: -52.983786
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -216.515862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.515862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.515862 (E_RNA)
where:
Base-Base interactions energy: -144.090
where: short stacking energy: -63.519
Base-Backbone interact. energy: -0.099
local terms energy: -72.327342
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -19.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -199.996090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.996090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.996090 (E_RNA)
where:
Base-Base interactions energy: -126.361
where: short stacking energy: -69.591
Base-Backbone interact. energy: -0.235
local terms energy: -73.399967
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -186.403347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.403347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.403347 (E_RNA)
where:
Base-Base interactions energy: -123.159
where: short stacking energy: -51.584
Base-Backbone interact. energy: -0.141
local terms energy: -63.103439
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -12.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -176.071801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.071801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.071801 (E_RNA)
where:
Base-Base interactions energy: -107.021
where: short stacking energy: -63.379
Base-Backbone interact. energy: -0.163
local terms energy: -68.887599
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -13.364
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: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -158.011318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.011318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.011318 (E_RNA)
where:
Base-Base interactions energy: -87.559
where: short stacking energy: -54.365
Base-Backbone interact. energy: -0.451
local terms energy: -70.001702
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -9.478
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: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -90.840227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.840227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.840227 (E_RNA)
where:
Base-Base interactions energy: -37.911
where: short stacking energy: -37.911
Base-Backbone interact. energy: -0.087
local terms energy: -52.841804
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -9.984
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: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -84.126902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.126902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.126902 (E_RNA)
where:
Base-Base interactions energy: -36.087
where: short stacking energy: -26.751
Base-Backbone interact. energy: -0.535
local terms energy: -47.505753
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: 0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -82.841855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.841855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.841855 (E_RNA)
where:
Base-Base interactions energy: -28.313
where: short stacking energy: -26.939
Base-Backbone interact. energy: -0.073
local terms energy: -54.455658
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -5.599
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: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -78.721006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.721006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.721006 (E_RNA)
where:
Base-Base interactions energy: -31.740
where: short stacking energy: -29.045
Base-Backbone interact. energy: -0.541
local terms energy: -46.439484
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -82.387947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.387947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.387947 (E_RNA)
where:
Base-Base interactions energy: -31.286
where: short stacking energy: -27.596
Base-Backbone interact. energy: -0.706
local terms energy: -50.395179
where:
bonds (distance) C4'-P energy: -6.068
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -214.004842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.004842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.004842 (E_RNA)
where:
Base-Base interactions energy: -141.015
where: short stacking energy: -70.056
Base-Backbone interact. energy: -0.213
local terms energy: -72.777291
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -7.612
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: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -206.180186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.180186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.180186 (E_RNA)
where:
Base-Base interactions energy: -134.748
where: short stacking energy: -66.770
Base-Backbone interact. energy: 0.586
local terms energy: -72.018675
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -11.880
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: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -197.012533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.012533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.012533 (E_RNA)
where:
Base-Base interactions energy: -129.230
where: short stacking energy: -56.946
Base-Backbone interact. energy: -0.285
local terms energy: -67.497344
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -173.423401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.423401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.423401 (E_RNA)
where:
Base-Base interactions energy: -105.434
where: short stacking energy: -62.450
Base-Backbone interact. energy: -0.006
local terms energy: -67.982850
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -16.739
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: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -170.128453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.128453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.128453 (E_RNA)
where:
Base-Base interactions energy: -111.480
where: short stacking energy: -57.227
Base-Backbone interact. energy: -0.113
local terms energy: -58.535937
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -13.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -97.986425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.986425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.986425 (E_RNA)
where:
Base-Base interactions energy: -40.049
where: short stacking energy: -39.065
Base-Backbone interact. energy: -0.226
local terms energy: -57.710998
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -96.754497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.754497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.754497 (E_RNA)
where:
Base-Base interactions energy: -44.182
where: short stacking energy: -43.880
Base-Backbone interact. energy: -0.674
local terms energy: -51.898382
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -9.593
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: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -83.039279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.039279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.039279 (E_RNA)
where:
Base-Base interactions energy: -35.868
where: short stacking energy: -20.971
Base-Backbone interact. energy: -0.911
local terms energy: -46.260804
where:
bonds (distance) C4'-P energy: -5.901
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -87.939211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.939211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.939211 (E_RNA)
where:
Base-Base interactions energy: -36.124
where: short stacking energy: -34.010
Base-Backbone interact. energy: -0.228
local terms energy: -51.587628
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -80.926948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.926948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.926948 (E_RNA)
where:
Base-Base interactions energy: -29.679
where: short stacking energy: -27.590
Base-Backbone interact. energy: -0.484
local terms energy: -50.764106
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -205.015029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.015029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.015029 (E_RNA)
where:
Base-Base interactions energy: -128.903
where: short stacking energy: -63.017
Base-Backbone interact. energy: -1.935
local terms energy: -74.176621
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -210.831492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.831492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.831492 (E_RNA)
where:
Base-Base interactions energy: -133.640
where: short stacking energy: -64.690
Base-Backbone interact. energy: -0.066
local terms energy: -77.124830
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -187.247715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.247715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.247715 (E_RNA)
where:
Base-Base interactions energy: -120.492
where: short stacking energy: -53.846
Base-Backbone interact. energy: -0.026
local terms energy: -66.729563
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -11.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -160.842420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.842420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.842420 (E_RNA)
where:
Base-Base interactions energy: -89.790
where: short stacking energy: -56.073
Base-Backbone interact. energy: -0.088
local terms energy: -70.964845
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -157.353043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.353043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.353043 (E_RNA)
where:
Base-Base interactions energy: -94.496
where: short stacking energy: -47.886
Base-Backbone interact. energy: 1.843
local terms energy: -64.699618
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -10.562
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: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -97.951999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.951999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.951999 (E_RNA)
where:
Base-Base interactions energy: -41.686
where: short stacking energy: -33.274
Base-Backbone interact. energy: -0.075
local terms energy: -56.191223
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -99.817977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.817977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.817977 (E_RNA)
where:
Base-Base interactions energy: -39.579
where: short stacking energy: -39.309
Base-Backbone interact. energy: -0.184
local terms energy: -60.055084
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -101.866976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.866976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.866976 (E_RNA)
where:
Base-Base interactions energy: -48.410
where: short stacking energy: -39.200
Base-Backbone interact. energy: -1.594
local terms energy: -51.863190
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -89.935691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.935691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.935691 (E_RNA)
where:
Base-Base interactions energy: -49.265
where: short stacking energy: -31.262
Base-Backbone interact. energy: -0.476
local terms energy: -40.194810
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -2.534
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -93.492339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.492339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.492339 (E_RNA)
where:
Base-Base interactions energy: -33.558
where: short stacking energy: -33.057
Base-Backbone interact. energy: -0.398
local terms energy: -59.536794
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -205.054012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.054012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.054012 (E_RNA)
where:
Base-Base interactions energy: -124.986
where: short stacking energy: -58.991
Base-Backbone interact. energy: -0.392
local terms energy: -79.675982
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -10.225
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: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -180.082060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.082060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.082060 (E_RNA)
where:
Base-Base interactions energy: -106.045
where: short stacking energy: -56.373
Base-Backbone interact. energy: 0.904
local terms energy: -74.940787
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -15.835
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: 57
Temperature: 1.000000
Total energy: -202.224720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.224720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.224720 (E_RNA)
where:
Base-Base interactions energy: -131.336
where: short stacking energy: -62.790
Base-Backbone interact. energy: 0.153
local terms energy: -71.040811
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -17.277
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: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -159.552387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.552387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.552387 (E_RNA)
where:
Base-Base interactions energy: -92.766
where: short stacking energy: -60.267
Base-Backbone interact. energy: -0.016
local terms energy: -66.770127
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -157.675608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.675608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.675608 (E_RNA)
where:
Base-Base interactions energy: -94.408
where: short stacking energy: -51.234
Base-Backbone interact. energy: -0.267
local terms energy: -63.000153
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -5.085
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: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -98.471350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.471350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.471350 (E_RNA)
where:
Base-Base interactions energy: -47.180
where: short stacking energy: -38.121
Base-Backbone interact. energy: -0.223
local terms energy: -51.068171
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -2.677
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: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -105.538643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.538643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.538643 (E_RNA)
where:
Base-Base interactions energy: -48.066
where: short stacking energy: -41.529
Base-Backbone interact. energy: -0.393
local terms energy: -57.079058
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -7.287
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: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -93.596071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.596071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.596071 (E_RNA)
where:
Base-Base interactions energy: -41.059
where: short stacking energy: -36.228
Base-Backbone interact. energy: -0.019
local terms energy: -52.517435
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -10.069
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -6.865
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: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -73.150184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.150184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.150184 (E_RNA)
where:
Base-Base interactions energy: -33.351
where: short stacking energy: -32.533
Base-Backbone interact. energy: -0.282
local terms energy: -39.516684
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -6.966
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -80.330539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.330539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.330539 (E_RNA)
where:
Base-Base interactions energy: -41.113
where: short stacking energy: -29.162
Base-Backbone interact. energy: -1.588
local terms energy: -37.629445
where:
bonds (distance) C4'-P energy: -6.564
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -192.052151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.052151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.052151 (E_RNA)
where:
Base-Base interactions energy: -127.352
where: short stacking energy: -63.035
Base-Backbone interact. energy: -0.007
local terms energy: -64.693898
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -198.394737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.394737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.394737 (E_RNA)
where:
Base-Base interactions energy: -129.743
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.225
local terms energy: -68.426773
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -183.285732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.285732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.285732 (E_RNA)
where:
Base-Base interactions energy: -114.216
where: short stacking energy: -59.651
Base-Backbone interact. energy: -0.055
local terms energy: -69.014558
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -191.262295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.262295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.262295 (E_RNA)
where:
Base-Base interactions energy: -121.761
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.804
local terms energy: -68.697195
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -173.555319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.555319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.555319 (E_RNA)
where:
Base-Base interactions energy: -97.556
where: short stacking energy: -61.892
Base-Backbone interact. energy: -0.065
local terms energy: -75.933851
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -118.228168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.228168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.228168 (E_RNA)
where:
Base-Base interactions energy: -59.831
where: short stacking energy: -46.541
Base-Backbone interact. energy: 2.058
local terms energy: -60.454970
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -9.778
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -9.904
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: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -96.171949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.171949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.171949 (E_RNA)
where:
Base-Base interactions energy: -34.907
where: short stacking energy: -34.144
Base-Backbone interact. energy: -0.016
local terms energy: -61.248553
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -93.436622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.436622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.436622 (E_RNA)
where:
Base-Base interactions energy: -44.317
where: short stacking energy: -34.143
Base-Backbone interact. energy: -0.101
local terms energy: -49.019268
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -89.273499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.273499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.273499 (E_RNA)
where:
Base-Base interactions energy: -47.048
where: short stacking energy: -27.578
Base-Backbone interact. energy: -0.135
local terms energy: -42.091298
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -8.845
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -88.333034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.333034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.333034 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -32.936
Base-Backbone interact. energy: -0.374
local terms energy: -53.401082
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -210.678366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.678366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.678366 (E_RNA)
where:
Base-Base interactions energy: -137.500
where: short stacking energy: -57.359
Base-Backbone interact. energy: -0.098
local terms energy: -73.080064
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -197.038744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.038744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.038744 (E_RNA)
where:
Base-Base interactions energy: -119.262
where: short stacking energy: -62.834
Base-Backbone interact. energy: -2.137
local terms energy: -75.639753
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -20.634
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: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -176.248327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.248327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.248327 (E_RNA)
where:
Base-Base interactions energy: -113.259
where: short stacking energy: -56.330
Base-Backbone interact. energy: -0.113
local terms energy: -62.876525
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -8.903
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -12.765
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: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -184.570573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.570573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.570573 (E_RNA)
where:
Base-Base interactions energy: -113.972
where: short stacking energy: -61.549
Base-Backbone interact. energy: -0.201
local terms energy: -70.397641
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -15.296
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: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -149.123714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.123714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.123714 (E_RNA)
where:
Base-Base interactions energy: -88.142
where: short stacking energy: -40.994
Base-Backbone interact. energy: -0.356
local terms energy: -60.625528
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -10.816
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: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -108.835934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.835934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.835934 (E_RNA)
where:
Base-Base interactions energy: -44.919
where: short stacking energy: -41.918
Base-Backbone interact. energy: -1.794
local terms energy: -62.122534
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -107.134796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.134796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.134796 (E_RNA)
where:
Base-Base interactions energy: -51.508
where: short stacking energy: -32.672
Base-Backbone interact. energy: -0.088
local terms energy: -55.538382
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -10.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -94.538587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.538587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.538587 (E_RNA)
where:
Base-Base interactions energy: -42.045
where: short stacking energy: -30.592
Base-Backbone interact. energy: -0.045
local terms energy: -52.448769
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -3.969
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: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -92.024269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.024269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.024269 (E_RNA)
where:
Base-Base interactions energy: -31.985
where: short stacking energy: -25.842
Base-Backbone interact. energy: 1.133
local terms energy: -61.171881
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -10.304
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: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -76.325141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.325141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.325141 (E_RNA)
where:
Base-Base interactions energy: -29.301
where: short stacking energy: -18.968
Base-Backbone interact. energy: -0.188
local terms energy: -46.835663
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -0.637
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: 60
Temperature: 0.900000
Total energy: -214.248654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.248654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.248654 (E_RNA)
where:
Base-Base interactions energy: -135.625
where: short stacking energy: -70.174
Base-Backbone interact. energy: -0.207
local terms energy: -78.416851
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -201.983685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.983685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.983685 (E_RNA)
where:
Base-Base interactions energy: -131.258
where: short stacking energy: -64.384
Base-Backbone interact. energy: -0.110
local terms energy: -70.615456
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -200.108734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.108734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.108734 (E_RNA)
where:
Base-Base interactions energy: -127.509
where: short stacking energy: -53.427
Base-Backbone interact. energy: -0.179
local terms energy: -72.421345
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -17.271
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: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -183.649075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.649075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.649075 (E_RNA)
where:
Base-Base interactions energy: -122.823
where: short stacking energy: -59.544
Base-Backbone interact. energy: -0.063
local terms energy: -60.762743
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -12.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -161.424555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.424555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.424555 (E_RNA)
where:
Base-Base interactions energy: -101.972
where: short stacking energy: -49.002
Base-Backbone interact. energy: -0.318
local terms energy: -59.134606
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -8.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -119.864837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.864837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.864837 (E_RNA)
where:
Base-Base interactions energy: -63.442
where: short stacking energy: -33.780
Base-Backbone interact. energy: -0.140
local terms energy: -56.283143
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -7.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -127.104184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.104184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.104184 (E_RNA)
where:
Base-Base interactions energy: -76.082
where: short stacking energy: -43.400
Base-Backbone interact. energy: 3.524
local terms energy: -54.546136
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -89.157963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.157963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.157963 (E_RNA)
where:
Base-Base interactions energy: -30.457
where: short stacking energy: -25.061
Base-Backbone interact. energy: -1.069
local terms energy: -57.631882
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -83.541104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.541104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.541104 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -24.035
Base-Backbone interact. energy: -0.076
local terms energy: -47.048268
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: 3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -72.172310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.172310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.172310 (E_RNA)
where:
Base-Base interactions energy: -25.727
where: short stacking energy: -23.646
Base-Backbone interact. energy: -1.052
local terms energy: -45.393137
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: 1.355
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: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -220.363988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.363988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.363988 (E_RNA)
where:
Base-Base interactions energy: -142.355
where: short stacking energy: -64.820
Base-Backbone interact. energy: -0.006
local terms energy: -78.003569
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -195.671392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.671392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.671392 (E_RNA)
where:
Base-Base interactions energy: -117.619
where: short stacking energy: -65.302
Base-Backbone interact. energy: -0.418
local terms energy: -77.634726
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -13.125
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: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -195.253383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.253383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.253383 (E_RNA)
where:
Base-Base interactions energy: -132.451
where: short stacking energy: -53.649
Base-Backbone interact. energy: -0.353
local terms energy: -62.449614
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -14.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -174.346270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.346270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.346270 (E_RNA)
where:
Base-Base interactions energy: -112.767
where: short stacking energy: -54.803
Base-Backbone interact. energy: -0.088
local terms energy: -61.491611
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -14.322
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: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -166.658946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.658946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.658946 (E_RNA)
where:
Base-Base interactions energy: -111.658
where: short stacking energy: -45.249
Base-Backbone interact. energy: -0.106
local terms energy: -54.894299
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -119.749787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.749787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.749787 (E_RNA)
where:
Base-Base interactions energy: -61.303
where: short stacking energy: -30.385
Base-Backbone interact. energy: -0.153
local terms energy: -58.293806
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -115.278197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.278197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.278197 (E_RNA)
where:
Base-Base interactions energy: -59.419
where: short stacking energy: -33.928
Base-Backbone interact. energy: -0.067
local terms energy: -55.792262
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -97.337495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.337495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.337495 (E_RNA)
where:
Base-Base interactions energy: -35.244
where: short stacking energy: -31.563
Base-Backbone interact. energy: -0.281
local terms energy: -61.812035
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -86.767325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.767325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.767325 (E_RNA)
where:
Base-Base interactions energy: -33.847
where: short stacking energy: -31.991
Base-Backbone interact. energy: -0.440
local terms energy: -52.479702
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -75.074406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.074406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.074406 (E_RNA)
where:
Base-Base interactions energy: -19.780
where: short stacking energy: -15.482
Base-Backbone interact. energy: -0.278
local terms energy: -55.016783
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -208.105319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.105319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.105319 (E_RNA)
where:
Base-Base interactions energy: -137.920
where: short stacking energy: -60.245
Base-Backbone interact. energy: -0.001
local terms energy: -70.183641
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -15.614
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: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -192.936700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.936700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.936700 (E_RNA)
where:
Base-Base interactions energy: -126.169
where: short stacking energy: -65.857
Base-Backbone interact. energy: -0.654
local terms energy: -66.113546
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -10.223
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: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -196.513301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.513301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.513301 (E_RNA)
where:
Base-Base interactions energy: -129.620
where: short stacking energy: -53.555
Base-Backbone interact. energy: -0.139
local terms energy: -66.753831
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -177.382110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.382110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.382110 (E_RNA)
where:
Base-Base interactions energy: -113.086
where: short stacking energy: -53.286
Base-Backbone interact. energy: -0.191
local terms energy: -64.104574
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -150.890322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.890322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.890322 (E_RNA)
where:
Base-Base interactions energy: -87.623
where: short stacking energy: -54.856
Base-Backbone interact. energy: -0.069
local terms energy: -63.197571
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -148.930038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.930038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.930038 (E_RNA)
where:
Base-Base interactions energy: -92.467
where: short stacking energy: -39.419
Base-Backbone interact. energy: -0.584
local terms energy: -55.878702
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -10.442
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: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -89.133040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.133040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.133040 (E_RNA)
where:
Base-Base interactions energy: -43.660
where: short stacking energy: -19.766
Base-Backbone interact. energy: -0.309
local terms energy: -45.163938
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -1.211
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: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -78.690799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.690799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.690799 (E_RNA)
where:
Base-Base interactions energy: -25.596
where: short stacking energy: -17.245
Base-Backbone interact. energy: -0.760
local terms energy: -52.335088
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -91.412655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.412655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.412655 (E_RNA)
where:
Base-Base interactions energy: -36.513
where: short stacking energy: -34.255
Base-Backbone interact. energy: -0.650
local terms energy: -54.249698
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -8.793
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: 62
Temperature: 1.350000
Total energy: -74.440255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.440255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.440255 (E_RNA)
where:
Base-Base interactions energy: -22.385
where: short stacking energy: -19.078
Base-Backbone interact. energy: -0.157
local terms energy: -51.898780
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -2.316
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: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -209.977518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.977518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.977518 (E_RNA)
where:
Base-Base interactions energy: -134.297
where: short stacking energy: -56.039
Base-Backbone interact. energy: -0.014
local terms energy: -75.666111
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -205.086533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.086533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.086533 (E_RNA)
where:
Base-Base interactions energy: -138.429
where: short stacking energy: -65.201
Base-Backbone interact. energy: -0.019
local terms energy: -66.637883
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -185.208631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.208631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.208631 (E_RNA)
where:
Base-Base interactions energy: -129.220
where: short stacking energy: -64.920
Base-Backbone interact. energy: -0.384
local terms energy: -55.605136
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -11.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -197.543730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.543730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.543730 (E_RNA)
where:
Base-Base interactions energy: -124.986
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.261
local terms energy: -72.295991
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -10.219
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: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -153.427074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.427074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.427074 (E_RNA)
where:
Base-Base interactions energy: -94.337
where: short stacking energy: -44.891
Base-Backbone interact. energy: -0.116
local terms energy: -58.973583
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -152.849119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.849119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.849119 (E_RNA)
where:
Base-Base interactions energy: -101.050
where: short stacking energy: -51.201
Base-Backbone interact. energy: -0.170
local terms energy: -51.629609
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -8.287
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -3.164
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -90.556788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.556788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.556788 (E_RNA)
where:
Base-Base interactions energy: -42.423
where: short stacking energy: -41.637
Base-Backbone interact. energy: -0.121
local terms energy: -48.013043
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -5.907
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -6.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -96.416202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.416202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.416202 (E_RNA)
where:
Base-Base interactions energy: -54.645
where: short stacking energy: -32.721
Base-Backbone interact. energy: 3.242
local terms energy: -45.013855
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -5.373
flat angles P-C4'-P energy: -8.484
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: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -85.741255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.741255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.741255 (E_RNA)
where:
Base-Base interactions energy: -36.233
where: short stacking energy: -28.500
Base-Backbone interact. energy: -0.170
local terms energy: -49.338281
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -105.266502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.266502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.266502 (E_RNA)
where:
Base-Base interactions energy: -54.508
where: short stacking energy: -36.910
Base-Backbone interact. energy: -0.436
local terms energy: -50.322568
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -7.114
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: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -199.100407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.100407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.100407 (E_RNA)
where:
Base-Base interactions energy: -136.376
where: short stacking energy: -54.807
Base-Backbone interact. energy: -0.268
local terms energy: -62.456403
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -10.906
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: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -199.534853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.534853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.534853 (E_RNA)
where:
Base-Base interactions energy: -141.224
where: short stacking energy: -47.754
Base-Backbone interact. energy: -0.912
local terms energy: -57.398079
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -9.663
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: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -196.311131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.311131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.311131 (E_RNA)
where:
Base-Base interactions energy: -124.240
where: short stacking energy: -63.057
Base-Backbone interact. energy: -0.718
local terms energy: -71.352715
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -187.458988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.458988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.458988 (E_RNA)
where:
Base-Base interactions energy: -126.503
where: short stacking energy: -50.933
Base-Backbone interact. energy: -1.282
local terms energy: -59.673760
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: -9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -176.072634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.072634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.072634 (E_RNA)
where:
Base-Base interactions energy: -123.155
where: short stacking energy: -52.122
Base-Backbone interact. energy: -0.239
local terms energy: -52.678646
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -8.484
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -133.828526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.828526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.828526 (E_RNA)
where:
Base-Base interactions energy: -74.727
where: short stacking energy: -35.656
Base-Backbone interact. energy: -0.325
local terms energy: -58.776639
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -8.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -91.414226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.414226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.414226 (E_RNA)
where:
Base-Base interactions energy: -36.519
where: short stacking energy: -35.669
Base-Backbone interact. energy: -0.158
local terms energy: -54.737033
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -92.597985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.597985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.597985 (E_RNA)
where:
Base-Base interactions energy: -38.324
where: short stacking energy: -30.932
Base-Backbone interact. energy: 0.229
local terms energy: -54.503632
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -75.044085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.044085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.044085 (E_RNA)
where:
Base-Base interactions energy: -38.481
where: short stacking energy: -35.619
Base-Backbone interact. energy: -0.156
local terms energy: -36.407379
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -2.236
tors. eta vs tors. theta energy: -0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -72.475716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.475716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.475716 (E_RNA)
where:
Base-Base interactions energy: -25.766
where: short stacking energy: -24.620
Base-Backbone interact. energy: -0.033
local terms energy: -46.676547
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -11.459
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -0.832
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: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -214.019282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.019282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.019282 (E_RNA)
where:
Base-Base interactions energy: -136.993
where: short stacking energy: -65.739
Base-Backbone interact. energy: -0.115
local terms energy: -76.910806
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -198.709956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.709956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.709956 (E_RNA)
where:
Base-Base interactions energy: -125.077
where: short stacking energy: -64.039
Base-Backbone interact. energy: -0.703
local terms energy: -72.930413
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -201.085195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.085195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.085195 (E_RNA)
where:
Base-Base interactions energy: -131.852
where: short stacking energy: -58.116
Base-Backbone interact. energy: -0.119
local terms energy: -69.114057
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -14.248
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: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -173.799565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.799565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.799565 (E_RNA)
where:
Base-Base interactions energy: -105.327
where: short stacking energy: -55.545
Base-Backbone interact. energy: -0.090
local terms energy: -68.383156
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -10.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -155.744162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.744162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.744162 (E_RNA)
where:
Base-Base interactions energy: -93.649
where: short stacking energy: -52.283
Base-Backbone interact. energy: -0.111
local terms energy: -61.983952
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -11.412
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: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -95.152676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.152676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.152676 (E_RNA)
where:
Base-Base interactions energy: -31.014
where: short stacking energy: -30.074
Base-Backbone interact. energy: -0.021
local terms energy: -64.117788
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -97.171212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.171212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.171212 (E_RNA)
where:
Base-Base interactions energy: -50.075
where: short stacking energy: -34.814
Base-Backbone interact. energy: -0.985
local terms energy: -46.111536
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: 0.319
tors. eta vs tors. theta energy: -0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -81.530493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.530493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.530493 (E_RNA)
where:
Base-Base interactions energy: -33.479
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.098
local terms energy: -47.953407
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -0.211
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: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -84.001987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.001987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.001987 (E_RNA)
where:
Base-Base interactions energy: -40.986
where: short stacking energy: -39.050
Base-Backbone interact. energy: -0.218
local terms energy: -42.797878
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -7.126
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -1.882
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: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -80.895662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.895662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.895662 (E_RNA)
where:
Base-Base interactions energy: -26.707
where: short stacking energy: -24.162
Base-Backbone interact. energy: -1.243
local terms energy: -52.945336
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -204.901739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.901739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.901739 (E_RNA)
where:
Base-Base interactions energy: -134.856
where: short stacking energy: -55.483
Base-Backbone interact. energy: -0.014
local terms energy: -70.031354
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -12.298
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: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -201.022188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.022188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.022188 (E_RNA)
where:
Base-Base interactions energy: -130.021
where: short stacking energy: -62.873
Base-Backbone interact. energy: -0.615
local terms energy: -70.386324
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -199.975148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.975148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.975148 (E_RNA)
where:
Base-Base interactions energy: -128.382
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.762
local terms energy: -70.831296
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -11.679
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: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -158.714348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.714348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.714348 (E_RNA)
where:
Base-Base interactions energy: -107.601
where: short stacking energy: -43.547
Base-Backbone interact. energy: -0.023
local terms energy: -51.090575
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -7.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -108.574898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.574898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.574898 (E_RNA)
where:
Base-Base interactions energy: -47.955
where: short stacking energy: -39.494
Base-Backbone interact. energy: -0.389
local terms energy: -60.230852
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -169.126559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.126559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.126559 (E_RNA)
where:
Base-Base interactions energy: -103.939
where: short stacking energy: -48.862
Base-Backbone interact. energy: -0.387
local terms energy: -64.800015
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -104.084308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.084308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.084308 (E_RNA)
where:
Base-Base interactions energy: -39.174
where: short stacking energy: -39.174
Base-Backbone interact. energy: -0.053
local terms energy: -64.857390
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -6.797
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: 66
Temperature: 1.250000
Total energy: -87.985452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.985452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.985452 (E_RNA)
where:
Base-Base interactions energy: -29.614
where: short stacking energy: -29.614
Base-Backbone interact. energy: -0.169
local terms energy: -58.202642
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -97.849821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.849821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.849821 (E_RNA)
where:
Base-Base interactions energy: -38.297
where: short stacking energy: -38.297
Base-Backbone interact. energy: 0.417
local terms energy: -59.970092
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -10.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -71.809349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.809349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.809349 (E_RNA)
where:
Base-Base interactions energy: -20.221
where: short stacking energy: -20.089
Base-Backbone interact. energy: -0.070
local terms energy: -51.518026
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -203.581567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.581567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.581567 (E_RNA)
where:
Base-Base interactions energy: -137.923
where: short stacking energy: -60.765
Base-Backbone interact. energy: -0.344
local terms energy: -65.314649
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -201.612412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.612412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.612412 (E_RNA)
where:
Base-Base interactions energy: -130.426
where: short stacking energy: -60.575
Base-Backbone interact. energy: -0.262
local terms energy: -70.924104
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -185.979014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.979014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.979014 (E_RNA)
where:
Base-Base interactions energy: -124.262
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.045
local terms energy: -61.672386
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -6.982
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: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -182.019028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.019028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.019028 (E_RNA)
where:
Base-Base interactions energy: -113.076
where: short stacking energy: -51.566
Base-Backbone interact. energy: 0.231
local terms energy: -69.174135
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -108.083345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.083345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.083345 (E_RNA)
where:
Base-Base interactions energy: -46.689
where: short stacking energy: -45.921
Base-Backbone interact. energy: -0.026
local terms energy: -61.368472
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -145.573219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.573219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.573219 (E_RNA)
where:
Base-Base interactions energy: -79.433
where: short stacking energy: -41.653
Base-Backbone interact. energy: -0.326
local terms energy: -65.814617
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -88.956581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.956581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.956581 (E_RNA)
where:
Base-Base interactions energy: -44.370
where: short stacking energy: -31.583
Base-Backbone interact. energy: -0.016
local terms energy: -44.570289
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -6.753
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -90.130850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.130850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.130850 (E_RNA)
where:
Base-Base interactions energy: -36.560
where: short stacking energy: -29.415
Base-Backbone interact. energy: -0.073
local terms energy: -53.497126
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: -7.243
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: 67
Temperature: 1.300000
Total energy: -76.294315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.294315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.294315 (E_RNA)
where:
Base-Base interactions energy: -18.864
where: short stacking energy: -18.864
Base-Backbone interact. energy: -0.031
local terms energy: -57.399872
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -3.152
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: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -104.488132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.488132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.488132 (E_RNA)
where:
Base-Base interactions energy: -60.636
where: short stacking energy: -34.559
Base-Backbone interact. energy: -0.529
local terms energy: -43.323041
where:
bonds (distance) C4'-P energy: -8.279
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -211.074753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.074753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.074753 (E_RNA)
where:
Base-Base interactions energy: -140.170
where: short stacking energy: -66.544
Base-Backbone interact. energy: 1.718
local terms energy: -72.622947
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -11.896
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: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -199.240814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.240814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.240814 (E_RNA)
where:
Base-Base interactions energy: -127.001
where: short stacking energy: -56.046
Base-Backbone interact. energy: -0.456
local terms energy: -71.784428
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -206.037150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.037150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.037150 (E_RNA)
where:
Base-Base interactions energy: -128.711
where: short stacking energy: -70.410
Base-Backbone interact. energy: -0.070
local terms energy: -77.256050
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -177.983195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.983195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.983195 (E_RNA)
where:
Base-Base interactions energy: -114.382
where: short stacking energy: -63.543
Base-Backbone interact. energy: -0.018
local terms energy: -63.583360
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -14.417
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: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -154.941683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.941683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.941683 (E_RNA)
where:
Base-Base interactions energy: -96.942
where: short stacking energy: -53.342
Base-Backbone interact. energy: -0.471
local terms energy: -57.528658
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -11.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -101.614397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.614397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.614397 (E_RNA)
where:
Base-Base interactions energy: -45.902
where: short stacking energy: -33.763
Base-Backbone interact. energy: -1.639
local terms energy: -54.073109
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -105.439060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.439060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.439060 (E_RNA)
where:
Base-Base interactions energy: -57.374
where: short stacking energy: -39.426
Base-Backbone interact. energy: -0.498
local terms energy: -47.567231
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -10.469
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -94.334402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.334402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.334402 (E_RNA)
where:
Base-Base interactions energy: -40.423
where: short stacking energy: -26.032
Base-Backbone interact. energy: -0.085
local terms energy: -53.826428
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -6.644
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -6.150
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: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -81.895269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.895269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.895269 (E_RNA)
where:
Base-Base interactions energy: -32.259
where: short stacking energy: -30.662
Base-Backbone interact. energy: -0.026
local terms energy: -49.610949
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -76.914965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.914965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.914965 (E_RNA)
where:
Base-Base interactions energy: -36.049
where: short stacking energy: -29.772
Base-Backbone interact. energy: -0.335
local terms energy: -40.530372
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -8.387
flat angles P-C4'-P energy: -2.343
tors. eta vs tors. theta energy: -1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -217.047116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.047116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.047116 (E_RNA)
where:
Base-Base interactions energy: -147.709
where: short stacking energy: -73.450
Base-Backbone interact. energy: -0.055
local terms energy: -69.282775
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -16.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -200.757487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.757487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.757487 (E_RNA)
where:
Base-Base interactions energy: -125.552
where: short stacking energy: -56.227
Base-Backbone interact. energy: 0.804
local terms energy: -76.010385
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -199.898313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.898313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.898313 (E_RNA)
where:
Base-Base interactions energy: -135.671
where: short stacking energy: -51.229
Base-Backbone interact. energy: 0.519
local terms energy: -64.745421
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -176.991156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.991156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.991156 (E_RNA)
where:
Base-Base interactions energy: -101.675
where: short stacking energy: -51.560
Base-Backbone interact. energy: -0.117
local terms energy: -75.198798
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -149.450679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.450679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.450679 (E_RNA)
where:
Base-Base interactions energy: -93.037
where: short stacking energy: -46.228
Base-Backbone interact. energy: -0.904
local terms energy: -55.508971
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -2.603
tors. eta vs tors. theta energy: -10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -139.672919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.672919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.672919 (E_RNA)
where:
Base-Base interactions energy: -74.977
where: short stacking energy: -41.249
Base-Backbone interact. energy: -0.278
local terms energy: -64.417491
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -98.074876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.074876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.074876 (E_RNA)
where:
Base-Base interactions energy: -43.520
where: short stacking energy: -42.549
Base-Backbone interact. energy: -0.005
local terms energy: -54.549926
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -96.055446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.055446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.055446 (E_RNA)
where:
Base-Base interactions energy: -48.489
where: short stacking energy: -26.934
Base-Backbone interact. energy: -1.796
local terms energy: -45.770786
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -87.360459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.360459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.360459 (E_RNA)
where:
Base-Base interactions energy: -41.499
where: short stacking energy: -31.644
Base-Backbone interact. energy: -0.244
local terms energy: -45.616816
where:
bonds (distance) C4'-P energy: -6.077
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -73.893238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.893238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.893238 (E_RNA)
where:
Base-Base interactions energy: -32.478
where: short stacking energy: -30.394
Base-Backbone interact. energy: -0.142
local terms energy: -41.272588
where:
bonds (distance) C4'-P energy: -1.142
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -4.515
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: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -209.363132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.363132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.363132 (E_RNA)
where:
Base-Base interactions energy: -132.330
where: short stacking energy: -63.267
Base-Backbone interact. energy: 1.293
local terms energy: -78.326259
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -200.217426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.217426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.217426 (E_RNA)
where:
Base-Base interactions energy: -125.804
where: short stacking energy: -66.690
Base-Backbone interact. energy: 0.744
local terms energy: -75.157684
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -185.558020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.558020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.558020 (E_RNA)
where:
Base-Base interactions energy: -116.132
where: short stacking energy: -55.170
Base-Backbone interact. energy: -0.050
local terms energy: -69.376318
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -161.150342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.150342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.150342 (E_RNA)
where:
Base-Base interactions energy: -98.240
where: short stacking energy: -54.743
Base-Backbone interact. energy: -0.067
local terms energy: -62.843153
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -12.825
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: 70
Temperature: 1.100000
Total energy: -148.240336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.240336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.240336 (E_RNA)
where:
Base-Base interactions energy: -82.270
where: short stacking energy: -49.803
Base-Backbone interact. energy: -0.397
local terms energy: -65.574251
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -9.470
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: 70
Temperature: 1.150000
Total energy: -156.336832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.336832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.336832 (E_RNA)
where:
Base-Base interactions energy: -95.481
where: short stacking energy: -44.869
Base-Backbone interact. energy: -0.134
local terms energy: -60.722404
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -9.837
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: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -105.364135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.364135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.364135 (E_RNA)
where:
Base-Base interactions energy: -50.860
where: short stacking energy: -37.045
Base-Backbone interact. energy: -0.221
local terms energy: -54.283132
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -85.791999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.791999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.791999 (E_RNA)
where:
Base-Base interactions energy: -26.106
where: short stacking energy: -25.952
Base-Backbone interact. energy: -0.011
local terms energy: -59.674763
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -4.887
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: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -81.991088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.991088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.991088 (E_RNA)
where:
Base-Base interactions energy: -44.705
where: short stacking energy: -22.282
Base-Backbone interact. energy: -0.140
local terms energy: -37.146168
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: 0.328
tors. eta vs tors. theta energy: -0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -82.759187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.759187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.759187 (E_RNA)
where:
Base-Base interactions energy: -29.178
where: short stacking energy: -29.178
Base-Backbone interact. energy: -0.079
local terms energy: -53.502135
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -6.685
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: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -208.229762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.229762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.229762 (E_RNA)
where:
Base-Base interactions energy: -135.112
where: short stacking energy: -62.303
Base-Backbone interact. energy: -0.152
local terms energy: -72.966148
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -16.805
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: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -209.010495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.010495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.010495 (E_RNA)
where:
Base-Base interactions energy: -138.099
where: short stacking energy: -60.742
Base-Backbone interact. energy: -0.036
local terms energy: -70.875717
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -14.477
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: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -196.497728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.497728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.497728 (E_RNA)
where:
Base-Base interactions energy: -129.352
where: short stacking energy: -54.362
Base-Backbone interact. energy: -0.125
local terms energy: -67.020560
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -16.449
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: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -123.276119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.276119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.276119 (E_RNA)
where:
Base-Base interactions energy: -63.681
where: short stacking energy: -47.379
Base-Backbone interact. energy: -0.201
local terms energy: -59.394718
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -161.526040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.526040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.526040 (E_RNA)
where:
Base-Base interactions energy: -99.599
where: short stacking energy: -44.704
Base-Backbone interact. energy: -0.111
local terms energy: -61.815354
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -97.575820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.575820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.575820 (E_RNA)
where:
Base-Base interactions energy: -39.359
where: short stacking energy: -34.801
Base-Backbone interact. energy: -1.150
local terms energy: -57.066656
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -8.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -169.485688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.485688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.485688 (E_RNA)
where:
Base-Base interactions energy: -96.796
where: short stacking energy: -47.517
Base-Backbone interact. energy: -1.723
local terms energy: -70.966540
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -10.762
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: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -84.391060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.391060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.391060 (E_RNA)
where:
Base-Base interactions energy: -30.220
where: short stacking energy: -30.220
Base-Backbone interact. energy: -0.056
local terms energy: -54.115571
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -82.682190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.682190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.682190 (E_RNA)
where:
Base-Base interactions energy: -34.513
where: short stacking energy: -34.513
Base-Backbone interact. energy: -0.005
local terms energy: -48.164278
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -75.582496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.582496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.582496 (E_RNA)
where:
Base-Base interactions energy: -26.602
where: short stacking energy: -26.602
Base-Backbone interact. energy: -0.086
local terms energy: -48.894147
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -219.199145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.199145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.199145 (E_RNA)
where:
Base-Base interactions energy: -142.335
where: short stacking energy: -70.372
Base-Backbone interact. energy: 0.234
local terms energy: -77.098331
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -18.696
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: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -198.167086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.167086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.167086 (E_RNA)
where:
Base-Base interactions energy: -126.534
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.385
local terms energy: -71.248242
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -181.754342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.754342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.754342 (E_RNA)
where:
Base-Base interactions energy: -118.259
where: short stacking energy: -57.797
Base-Backbone interact. energy: 0.528
local terms energy: -64.023720
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -12.133
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: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -125.613068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.613068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.613068 (E_RNA)
where:
Base-Base interactions energy: -62.141
where: short stacking energy: -62.141
Base-Backbone interact. energy: -0.016
local terms energy: -63.455496
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -167.976839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.976839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.976839 (E_RNA)
where:
Base-Base interactions energy: -112.028
where: short stacking energy: -48.513
Base-Backbone interact. energy: -0.013
local terms energy: -55.935772
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -11.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -95.322757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.322757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.322757 (E_RNA)
where:
Base-Base interactions energy: -36.458
where: short stacking energy: -35.660
Base-Backbone interact. energy: -0.191
local terms energy: -58.673448
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -111.229210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.229210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.229210 (E_RNA)
where:
Base-Base interactions energy: -45.282
where: short stacking energy: -38.905
Base-Backbone interact. energy: -0.602
local terms energy: -65.345457
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -90.254727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.254727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.254727 (E_RNA)
where:
Base-Base interactions energy: -35.089
where: short stacking energy: -30.202
Base-Backbone interact. energy: 0.351
local terms energy: -55.516678
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -92.572140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.572140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.572140 (E_RNA)
where:
Base-Base interactions energy: -38.199
where: short stacking energy: -38.199
Base-Backbone interact. energy: -0.006
local terms energy: -54.367456
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -8.284
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: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -92.008654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.008654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.008654 (E_RNA)
where:
Base-Base interactions energy: -32.258
where: short stacking energy: -30.909
Base-Backbone interact. energy: -0.287
local terms energy: -59.463506
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -203.959914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.959914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.959914 (E_RNA)
where:
Base-Base interactions energy: -136.191
where: short stacking energy: -64.522
Base-Backbone interact. energy: -0.010
local terms energy: -67.758557
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -16.491
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: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -191.605480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.605480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.605480 (E_RNA)
where:
Base-Base interactions energy: -117.572
where: short stacking energy: -41.853
Base-Backbone interact. energy: -0.382
local terms energy: -73.651000
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -174.871477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.871477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.871477 (E_RNA)
where:
Base-Base interactions energy: -107.165
where: short stacking energy: -46.816
Base-Backbone interact. energy: -1.735
local terms energy: -65.971210
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -156.703117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.703117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.703117 (E_RNA)
where:
Base-Base interactions energy: -98.275
where: short stacking energy: -51.617
Base-Backbone interact. energy: 1.563
local terms energy: -59.991053
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -9.371
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: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -104.632704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.632704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.632704 (E_RNA)
where:
Base-Base interactions energy: -45.056
where: short stacking energy: -39.850
Base-Backbone interact. energy: -0.217
local terms energy: -59.358905
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -99.218200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.218200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.218200 (E_RNA)
where:
Base-Base interactions energy: -39.842
where: short stacking energy: -35.896
Base-Backbone interact. energy: 0.003
local terms energy: -59.378708
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -5.308
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: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -85.316461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.316461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.316461 (E_RNA)
where:
Base-Base interactions energy: -47.066
where: short stacking energy: -35.900
Base-Backbone interact. energy: -0.007
local terms energy: -38.242766
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -0.457
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -89.935851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.935851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.935851 (E_RNA)
where:
Base-Base interactions energy: -37.866
where: short stacking energy: -28.987
Base-Backbone interact. energy: -0.625
local terms energy: -51.445804
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -89.368252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.368252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.368252 (E_RNA)
where:
Base-Base interactions energy: -37.221
where: short stacking energy: -33.940
Base-Backbone interact. energy: -0.095
local terms energy: -52.052310
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -85.927618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.927618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.927618 (E_RNA)
where:
Base-Base interactions energy: -42.436
where: short stacking energy: -32.972
Base-Backbone interact. energy: -1.119
local terms energy: -42.372928
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -1.231
tors. eta vs tors. theta energy: -4.607
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: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -199.977852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.977852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.977852 (E_RNA)
where:
Base-Base interactions energy: -129.090
where: short stacking energy: -60.788
Base-Backbone interact. energy: 1.881
local terms energy: -72.768666
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -203.206339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.206339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.206339 (E_RNA)
where:
Base-Base interactions energy: -137.570
where: short stacking energy: -62.390
Base-Backbone interact. energy: -0.463
local terms energy: -65.173540
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -6.631
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: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -173.434590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.434590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.434590 (E_RNA)
where:
Base-Base interactions energy: -107.778
where: short stacking energy: -52.140
Base-Backbone interact. energy: -0.235
local terms energy: -65.420791
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -11.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -168.175376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.175376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.175376 (E_RNA)
where:
Base-Base interactions energy: -96.681
where: short stacking energy: -50.259
Base-Backbone interact. energy: -0.036
local terms energy: -71.458048
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -11.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -98.409718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.409718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.409718 (E_RNA)
where:
Base-Base interactions energy: -42.673
where: short stacking energy: -38.207
Base-Backbone interact. energy: -0.125
local terms energy: -55.611998
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -3.806
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: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -100.068387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.068387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.068387 (E_RNA)
where:
Base-Base interactions energy: -42.036
where: short stacking energy: -35.928
Base-Backbone interact. energy: -0.006
local terms energy: -58.027176
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -93.655849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.655849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.655849 (E_RNA)
where:
Base-Base interactions energy: -38.664
where: short stacking energy: -38.664
Base-Backbone interact. energy: -0.188
local terms energy: -54.804100
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -4.847
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: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -89.644913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.644913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.644913 (E_RNA)
where:
Base-Base interactions energy: -42.977
where: short stacking energy: -37.721
Base-Backbone interact. energy: -0.172
local terms energy: -46.496507
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -8.135
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -4.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -84.521215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.521215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.521215 (E_RNA)
where:
Base-Base interactions energy: -32.475
where: short stacking energy: -31.974
Base-Backbone interact. energy: -0.031
local terms energy: -52.014704
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -73.458358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.458358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.458358 (E_RNA)
where:
Base-Base interactions energy: -24.388
where: short stacking energy: -24.388
Base-Backbone interact. energy: -2.185
local terms energy: -46.886042
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -192.716071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.716071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.716071 (E_RNA)
where:
Base-Base interactions energy: -122.643
where: short stacking energy: -58.449
Base-Backbone interact. energy: -0.094
local terms energy: -69.978397
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -13.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -204.180862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.180862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.180862 (E_RNA)
where:
Base-Base interactions energy: -139.667
where: short stacking energy: -65.027
Base-Backbone interact. energy: 0.132
local terms energy: -64.646640
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -9.748
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -178.311687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.311687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.311687 (E_RNA)
where:
Base-Base interactions energy: -107.942
where: short stacking energy: -64.467
Base-Backbone interact. energy: -1.114
local terms energy: -69.256026
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -12.391
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: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -121.241191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.241191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.241191 (E_RNA)
where:
Base-Base interactions energy: -50.569
where: short stacking energy: -50.569
Base-Backbone interact. energy: -0.174
local terms energy: -70.498654
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -13.579
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: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -163.793728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.793728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.793728 (E_RNA)
where:
Base-Base interactions energy: -96.471
where: short stacking energy: -49.883
Base-Backbone interact. energy: -0.343
local terms energy: -66.979120
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -94.001284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.001284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.001284 (E_RNA)
where:
Base-Base interactions energy: -36.260
where: short stacking energy: -36.260
Base-Backbone interact. energy: -0.022
local terms energy: -57.719353
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -10.170
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: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -92.067277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.067277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.067277 (E_RNA)
where:
Base-Base interactions energy: -39.315
where: short stacking energy: -39.315
Base-Backbone interact. energy: -0.136
local terms energy: -52.615608
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -101.492811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.492811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.492811 (E_RNA)
where:
Base-Base interactions energy: -45.502
where: short stacking energy: -41.780
Base-Backbone interact. energy: -0.259
local terms energy: -55.731217
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -89.944724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.944724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.944724 (E_RNA)
where:
Base-Base interactions energy: -34.889
where: short stacking energy: -33.707
Base-Backbone interact. energy: -0.417
local terms energy: -54.638762
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -77.800520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.800520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.800520 (E_RNA)
where:
Base-Base interactions energy: -31.859
where: short stacking energy: -31.637
Base-Backbone interact. energy: -0.217
local terms energy: -45.724400
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -201.854477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.854477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.854477 (E_RNA)
where:
Base-Base interactions energy: -141.505
where: short stacking energy: -59.853
Base-Backbone interact. energy: 0.560
local terms energy: -60.909653
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -2.763
tors. eta vs tors. theta energy: -14.856
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: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -194.979557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.979557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.979557 (E_RNA)
where:
Base-Base interactions energy: -125.751
where: short stacking energy: -57.346
Base-Backbone interact. energy: -0.013
local terms energy: -69.216107
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -15.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -178.925107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.925107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.925107 (E_RNA)
where:
Base-Base interactions energy: -106.193
where: short stacking energy: -56.859
Base-Backbone interact. energy: -0.060
local terms energy: -72.672445
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -125.184422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.184422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.184422 (E_RNA)
where:
Base-Base interactions energy: -60.928
where: short stacking energy: -39.231
Base-Backbone interact. energy: -0.001
local terms energy: -64.255158
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -148.435284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.435284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.435284 (E_RNA)
where:
Base-Base interactions energy: -87.383
where: short stacking energy: -46.075
Base-Backbone interact. energy: -0.186
local terms energy: -60.866306
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -102.219288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.219288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.219288 (E_RNA)
where:
Base-Base interactions energy: -44.984
where: short stacking energy: -41.476
Base-Backbone interact. energy: -0.056
local terms energy: -57.179626
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -87.994674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.994674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.994674 (E_RNA)
where:
Base-Base interactions energy: -36.803
where: short stacking energy: -33.004
Base-Backbone interact. energy: -0.455
local terms energy: -50.736195
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -9.118
flat angles P-C4'-P energy: -4.216
tors. eta vs tors. theta energy: -9.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -83.643857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.643857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.643857 (E_RNA)
where:
Base-Base interactions energy: -35.110
where: short stacking energy: -34.654
Base-Backbone interact. energy: -0.418
local terms energy: -48.116159
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: 0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -79.311375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.311375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.311375 (E_RNA)
where:
Base-Base interactions energy: -29.378
where: short stacking energy: -29.378
Base-Backbone interact. energy: -0.300
local terms energy: -49.633463
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -2.735
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: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -79.121478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.121478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.121478 (E_RNA)
where:
Base-Base interactions energy: -30.776
where: short stacking energy: -28.728
Base-Backbone interact. energy: -0.098
local terms energy: -48.247505
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -8.520
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -1.575
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: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -206.270521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.270521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.270521 (E_RNA)
where:
Base-Base interactions energy: -138.884
where: short stacking energy: -64.382
Base-Backbone interact. energy: -0.007
local terms energy: -67.379696
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -176.079481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.079481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.079481 (E_RNA)
where:
Base-Base interactions energy: -99.843
where: short stacking energy: -52.245
Base-Backbone interact. energy: -0.247
local terms energy: -75.989737
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -184.930017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.930017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.930017 (E_RNA)
where:
Base-Base interactions energy: -115.072
where: short stacking energy: -57.667
Base-Backbone interact. energy: -0.103
local terms energy: -69.754714
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -13.314
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: 77
Temperature: 1.050000
Total energy: -162.008665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.008665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.008665 (E_RNA)
where:
Base-Base interactions energy: -98.551
where: short stacking energy: -50.070
Base-Backbone interact. energy: -0.013
local terms energy: -63.444718
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -110.018533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.018533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.018533 (E_RNA)
where:
Base-Base interactions energy: -50.304
where: short stacking energy: -40.000
Base-Backbone interact. energy: 1.019
local terms energy: -60.733029
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -102.296467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.296467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.296467 (E_RNA)
where:
Base-Base interactions energy: -46.115
where: short stacking energy: -35.691
Base-Backbone interact. energy: -0.800
local terms energy: -55.381976
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -102.485008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.485008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.485008 (E_RNA)
where:
Base-Base interactions energy: -47.773
where: short stacking energy: -37.664
Base-Backbone interact. energy: 0.370
local terms energy: -55.082384
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -91.959748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.959748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.959748 (E_RNA)
where:
Base-Base interactions energy: -41.291
where: short stacking energy: -35.790
Base-Backbone interact. energy: 0.383
local terms energy: -51.051891
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -3.400
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -78.995935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.995935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.995935 (E_RNA)
where:
Base-Base interactions energy: -34.188
where: short stacking energy: -23.700
Base-Backbone interact. energy: 1.638
local terms energy: -46.445770
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -75.710885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.710885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.710885 (E_RNA)
where:
Base-Base interactions energy: -28.010
where: short stacking energy: -25.708
Base-Backbone interact. energy: -0.099
local terms energy: -47.601988
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -203.465786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.465786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.465786 (E_RNA)
where:
Base-Base interactions energy: -133.005
where: short stacking energy: -64.126
Base-Backbone interact. energy: -0.063
local terms energy: -70.397650
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -9.571
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: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -179.862423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.862423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.862423 (E_RNA)
where:
Base-Base interactions energy: -113.499
where: short stacking energy: -64.141
Base-Backbone interact. energy: -0.019
local terms energy: -66.344831
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -12.618
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: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -176.931519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.931519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.931519 (E_RNA)
where:
Base-Base interactions energy: -108.503
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.114
local terms energy: -68.314457
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -16.868
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: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -169.299617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.299617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.299617 (E_RNA)
where:
Base-Base interactions energy: -106.526
where: short stacking energy: -57.254
Base-Backbone interact. energy: 0.083
local terms energy: -62.856418
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -120.086844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.086844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.086844 (E_RNA)
where:
Base-Base interactions energy: -56.940
where: short stacking energy: -37.149
Base-Backbone interact. energy: -0.513
local terms energy: -62.633180
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -94.088627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.088627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.088627 (E_RNA)
where:
Base-Base interactions energy: -43.717
where: short stacking energy: -36.186
Base-Backbone interact. energy: -0.056
local terms energy: -50.315216
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -91.814008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.814008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.814008 (E_RNA)
where:
Base-Base interactions energy: -30.951
where: short stacking energy: -30.558
Base-Backbone interact. energy: -0.057
local terms energy: -60.805460
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -79.158845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.158845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.158845 (E_RNA)
where:
Base-Base interactions energy: -27.060
where: short stacking energy: -22.799
Base-Backbone interact. energy: -0.126
local terms energy: -51.972344
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -82.529283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.529283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.529283 (E_RNA)
where:
Base-Base interactions energy: -30.052
where: short stacking energy: -29.663
Base-Backbone interact. energy: -0.042
local terms energy: -52.435314
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -7.636
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: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -82.645185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.645185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.645185 (E_RNA)
where:
Base-Base interactions energy: -25.827
where: short stacking energy: -25.101
Base-Backbone interact. energy: -2.124
local terms energy: -54.693922
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -211.244345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.244345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.244345 (E_RNA)
where:
Base-Base interactions energy: -148.359
where: short stacking energy: -66.098
Base-Backbone interact. energy: -0.027
local terms energy: -62.859081
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -177.819859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.819859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.819859 (E_RNA)
where:
Base-Base interactions energy: -108.104
where: short stacking energy: -48.016
Base-Backbone interact. energy: -0.176
local terms energy: -69.539068
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -180.532162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.532162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.532162 (E_RNA)
where:
Base-Base interactions energy: -108.256
where: short stacking energy: -50.886
Base-Backbone interact. energy: -1.029
local terms energy: -71.247368
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -179.969202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.969202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.969202 (E_RNA)
where:
Base-Base interactions energy: -106.513
where: short stacking energy: -52.717
Base-Backbone interact. energy: -0.071
local terms energy: -73.384457
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -115.983220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.983220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.983220 (E_RNA)
where:
Base-Base interactions energy: -57.813
where: short stacking energy: -36.992
Base-Backbone interact. energy: -0.121
local terms energy: -58.049667
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -104.779159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.779159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.779159 (E_RNA)
where:
Base-Base interactions energy: -44.873
where: short stacking energy: -43.375
Base-Backbone interact. energy: 2.325
local terms energy: -62.230750
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -96.922385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.922385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.922385 (E_RNA)
where:
Base-Base interactions energy: -40.569
where: short stacking energy: -38.347
Base-Backbone interact. energy: -0.195
local terms energy: -56.158229
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -85.797012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.797012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.797012 (E_RNA)
where:
Base-Base interactions energy: -29.515
where: short stacking energy: -29.866
Base-Backbone interact. energy: 0.717
local terms energy: -56.999358
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -76.208868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.208868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.208868 (E_RNA)
where:
Base-Base interactions energy: -32.780
where: short stacking energy: -24.277
Base-Backbone interact. energy: 0.175
local terms energy: -43.604000
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: 2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -80.237429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.237429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.237429 (E_RNA)
where:
Base-Base interactions energy: -30.879
where: short stacking energy: -28.856
Base-Backbone interact. energy: 0.563
local terms energy: -49.921922
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -9.343
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: 80
Temperature: 0.900000
Total energy: -201.213409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.213409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.213409 (E_RNA)
where:
Base-Base interactions energy: -134.244
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.036
local terms energy: -66.933724
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -186.012657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.012657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.012657 (E_RNA)
where:
Base-Base interactions energy: -111.870
where: short stacking energy: -70.845
Base-Backbone interact. energy: -0.005
local terms energy: -74.137907
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -7.814
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: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -193.403229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.403229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.403229 (E_RNA)
where:
Base-Base interactions energy: -131.442
where: short stacking energy: -59.863
Base-Backbone interact. energy: -0.098
local terms energy: -61.863019
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -168.648222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.648222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.648222 (E_RNA)
where:
Base-Base interactions energy: -103.394
where: short stacking energy: -59.904
Base-Backbone interact. energy: 0.196
local terms energy: -65.450386
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -136.002822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.002822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.002822 (E_RNA)
where:
Base-Base interactions energy: -79.350
where: short stacking energy: -47.455
Base-Backbone interact. energy: -0.307
local terms energy: -56.346142
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -103.534840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.534840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.534840 (E_RNA)
where:
Base-Base interactions energy: -44.605
where: short stacking energy: -38.682
Base-Backbone interact. energy: -0.079
local terms energy: -58.850479
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -91.545526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.545526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.545526 (E_RNA)
where:
Base-Base interactions energy: -32.704
where: short stacking energy: -31.058
Base-Backbone interact. energy: -0.027
local terms energy: -58.813917
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -9.088
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: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -92.454814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.454814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.454814 (E_RNA)
where:
Base-Base interactions energy: -32.364
where: short stacking energy: -26.408
Base-Backbone interact. energy: -0.053
local terms energy: -60.037830
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -12.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -88.623680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.623680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.623680 (E_RNA)
where:
Base-Base interactions energy: -40.038
where: short stacking energy: -40.038
Base-Backbone interact. energy: -0.021
local terms energy: -48.564414
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -80.935535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.935535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.935535 (E_RNA)
where:
Base-Base interactions energy: -29.422
where: short stacking energy: -25.349
Base-Backbone interact. energy: -0.128
local terms energy: -51.385007
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -198.547547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.547547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.547547 (E_RNA)
where:
Base-Base interactions energy: -130.965
where: short stacking energy: -51.528
Base-Backbone interact. energy: -0.074
local terms energy: -67.508162
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -11.092
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: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -201.416916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.416916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.416916 (E_RNA)
where:
Base-Base interactions energy: -140.454
where: short stacking energy: -60.222
Base-Backbone interact. energy: -0.111
local terms energy: -60.851641
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -10.871
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -9.588
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: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -165.372775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.372775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.372775 (E_RNA)
where:
Base-Base interactions energy: -104.324
where: short stacking energy: -56.139
Base-Backbone interact. energy: -0.688
local terms energy: -60.360458
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -9.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -165.578677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.578677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.578677 (E_RNA)
where:
Base-Base interactions energy: -101.428
where: short stacking energy: -48.009
Base-Backbone interact. energy: 0.488
local terms energy: -64.638076
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -127.703644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.703644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.703644 (E_RNA)
where:
Base-Base interactions energy: -63.353
where: short stacking energy: -46.787
Base-Backbone interact. energy: -0.011
local terms energy: -64.339163
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -11.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -100.447290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.447290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.447290 (E_RNA)
where:
Base-Base interactions energy: -55.154
where: short stacking energy: -39.646
Base-Backbone interact. energy: 1.067
local terms energy: -46.360834
where:
bonds (distance) C4'-P energy: -5.331
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -88.944559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.944559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.944559 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -31.999
Base-Backbone interact. energy: -0.354
local terms energy: -56.413686
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -9.444
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -87.144176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.144176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.144176 (E_RNA)
where:
Base-Base interactions energy: -38.092
where: short stacking energy: -28.361
Base-Backbone interact. energy: -0.116
local terms energy: -48.936143
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -88.679851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.679851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.679851 (E_RNA)
where:
Base-Base interactions energy: -36.961
where: short stacking energy: -34.935
Base-Backbone interact. energy: -0.172
local terms energy: -51.547318
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -8.553
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -73.619562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.619562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.619562 (E_RNA)
where:
Base-Base interactions energy: -33.360
where: short stacking energy: -32.501
Base-Backbone interact. energy: -0.719
local terms energy: -39.540305
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: 0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -200.278383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.278383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.278383 (E_RNA)
where:
Base-Base interactions energy: -130.733
where: short stacking energy: -56.426
Base-Backbone interact. energy: 0.231
local terms energy: -69.776278
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -190.097477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.097477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.097477 (E_RNA)
where:
Base-Base interactions energy: -121.550
where: short stacking energy: -48.332
Base-Backbone interact. energy: -0.977
local terms energy: -67.571020
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -13.715
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: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -175.204353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.204353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.204353 (E_RNA)
where:
Base-Base interactions energy: -104.745
where: short stacking energy: -57.701
Base-Backbone interact. energy: -0.291
local terms energy: -70.168295
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -169.290866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.290866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.290866 (E_RNA)
where:
Base-Base interactions energy: -100.752
where: short stacking energy: -56.976
Base-Backbone interact. energy: -0.058
local terms energy: -68.480541
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -8.771
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: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -112.110315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.110315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.110315 (E_RNA)
where:
Base-Base interactions energy: -49.201
where: short stacking energy: -46.995
Base-Backbone interact. energy: -0.245
local terms energy: -62.664849
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -116.613052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.613052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.613052 (E_RNA)
where:
Base-Base interactions energy: -54.948
where: short stacking energy: -42.780
Base-Backbone interact. energy: 0.099
local terms energy: -61.764367
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -109.690814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.690814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.690814 (E_RNA)
where:
Base-Base interactions energy: -42.325
where: short stacking energy: -42.325
Base-Backbone interact. energy: -0.121
local terms energy: -67.244803
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -82.534767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.534767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.534767 (E_RNA)
where:
Base-Base interactions energy: -42.329
where: short stacking energy: -23.485
Base-Backbone interact. energy: -0.533
local terms energy: -39.671877
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: 1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -85.240482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.240482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.240482 (E_RNA)
where:
Base-Base interactions energy: -38.988
where: short stacking energy: -18.340
Base-Backbone interact. energy: -1.135
local terms energy: -45.116790
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -77.385265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.385265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.385265 (E_RNA)
where:
Base-Base interactions energy: -29.242
where: short stacking energy: -18.016
Base-Backbone interact. energy: -0.107
local terms energy: -48.036361
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -2.111
tors. eta vs tors. theta energy: -0.860
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: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -205.378069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.378069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.378069 (E_RNA)
where:
Base-Base interactions energy: -134.919
where: short stacking energy: -61.299
Base-Backbone interact. energy: -0.066
local terms energy: -70.393078
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -14.829
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: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -198.407363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.407363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.407363 (E_RNA)
where:
Base-Base interactions energy: -125.150
where: short stacking energy: -66.702
Base-Backbone interact. energy: 0.368
local terms energy: -73.625309
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -181.367695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.367695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.367695 (E_RNA)
where:
Base-Base interactions energy: -111.823
where: short stacking energy: -64.133
Base-Backbone interact. energy: 0.104
local terms energy: -69.649039
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -16.787
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: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -171.276451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.276451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.276451 (E_RNA)
where:
Base-Base interactions energy: -105.132
where: short stacking energy: -61.923
Base-Backbone interact. energy: -0.004
local terms energy: -66.141325
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -8.094
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -111.808093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.808093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.808093 (E_RNA)
where:
Base-Base interactions energy: -49.383
where: short stacking energy: -49.383
Base-Backbone interact. energy: 2.326
local terms energy: -64.750826
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -12.999
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: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -99.157021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.157021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.157021 (E_RNA)
where:
Base-Base interactions energy: -48.545
where: short stacking energy: -45.680
Base-Backbone interact. energy: -0.224
local terms energy: -50.388062
where:
bonds (distance) C4'-P energy: -5.950
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -11.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -91.673541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.673541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.673541 (E_RNA)
where:
Base-Base interactions energy: -41.483
where: short stacking energy: -29.616
Base-Backbone interact. energy: -0.144
local terms energy: -50.047255
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -98.039188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.039188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.039188 (E_RNA)
where:
Base-Base interactions energy: -54.479
where: short stacking energy: -34.370
Base-Backbone interact. energy: -0.306
local terms energy: -43.254700
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -1.486
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -81.707585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.707585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.707585 (E_RNA)
where:
Base-Base interactions energy: -36.586
where: short stacking energy: -32.229
Base-Backbone interact. energy: -0.239
local terms energy: -44.882506
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -5.634
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -84.146139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.146139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.146139 (E_RNA)
where:
Base-Base interactions energy: -27.905
where: short stacking energy: -26.329
Base-Backbone interact. energy: -0.201
local terms energy: -56.040860
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -204.628972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.628972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.628972 (E_RNA)
where:
Base-Base interactions energy: -129.415
where: short stacking energy: -61.861
Base-Backbone interact. energy: -0.756
local terms energy: -74.458091
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -206.935397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.935397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.935397 (E_RNA)
where:
Base-Base interactions energy: -137.210
where: short stacking energy: -61.833
Base-Backbone interact. energy: -0.006
local terms energy: -69.719596
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -10.210
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: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -183.720280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.720280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.720280 (E_RNA)
where:
Base-Base interactions energy: -123.053
where: short stacking energy: -56.404
Base-Backbone interact. energy: -0.647
local terms energy: -60.021059
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -11.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -163.574598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.574598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.574598 (E_RNA)
where:
Base-Base interactions energy: -100.691
where: short stacking energy: -52.530
Base-Backbone interact. energy: -0.254
local terms energy: -62.630225
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -11.111
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: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -107.868098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.868098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.868098 (E_RNA)
where:
Base-Base interactions energy: -47.481
where: short stacking energy: -45.394
Base-Backbone interact. energy: -0.112
local terms energy: -60.275597
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -102.166299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.166299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.166299 (E_RNA)
where:
Base-Base interactions energy: -44.883
where: short stacking energy: -32.972
Base-Backbone interact. energy: -0.202
local terms energy: -57.080902
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -96.295969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.295969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.295969 (E_RNA)
where:
Base-Base interactions energy: -38.143
where: short stacking energy: -38.143
Base-Backbone interact. energy: -0.116
local terms energy: -58.036345
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -89.514891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.514891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.514891 (E_RNA)
where:
Base-Base interactions energy: -36.054
where: short stacking energy: -35.560
Base-Backbone interact. energy: -0.014
local terms energy: -53.446330
where:
bonds (distance) C4'-P energy: -7.793
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -8.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -88.337284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.337284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.337284 (E_RNA)
where:
Base-Base interactions energy: -33.231
where: short stacking energy: -33.231
Base-Backbone interact. energy: -0.087
local terms energy: -55.019095
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -9.879
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: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -85.681815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.681815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.681815 (E_RNA)
where:
Base-Base interactions energy: -40.628
where: short stacking energy: -27.373
Base-Backbone interact. energy: -0.101
local terms energy: -44.953664
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -9.730
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -212.591183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.591183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.591183 (E_RNA)
where:
Base-Base interactions energy: -143.068
where: short stacking energy: -64.460
Base-Backbone interact. energy: -0.460
local terms energy: -69.062701
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -16.326
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: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -199.945313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.945313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.945313 (E_RNA)
where:
Base-Base interactions energy: -135.595
where: short stacking energy: -56.950
Base-Backbone interact. energy: -0.030
local terms energy: -64.319471
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -182.342846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.342846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.342846 (E_RNA)
where:
Base-Base interactions energy: -116.622
where: short stacking energy: -54.376
Base-Backbone interact. energy: -0.214
local terms energy: -65.506655
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -14.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -158.264461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.264461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.264461 (E_RNA)
where:
Base-Base interactions energy: -88.816
where: short stacking energy: -44.637
Base-Backbone interact. energy: -0.024
local terms energy: -69.424241
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -8.974
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: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -106.669749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.669749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.669749 (E_RNA)
where:
Base-Base interactions energy: -38.982
where: short stacking energy: -38.455
Base-Backbone interact. energy: -0.062
local terms energy: -67.625695
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -10.822
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: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -109.723202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.723202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.723202 (E_RNA)
where:
Base-Base interactions energy: -47.960
where: short stacking energy: -43.430
Base-Backbone interact. energy: -0.038
local terms energy: -61.724982
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.084
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: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -103.852113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.852113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.852113 (E_RNA)
where:
Base-Base interactions energy: -42.123
where: short stacking energy: -39.909
Base-Backbone interact. energy: -0.249
local terms energy: -61.480482
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -101.378035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.378035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.378035 (E_RNA)
where:
Base-Base interactions energy: -45.458
where: short stacking energy: -39.781
Base-Backbone interact. energy: -0.469
local terms energy: -55.451115
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -80.869925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.869925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.869925 (E_RNA)
where:
Base-Base interactions energy: -31.459
where: short stacking energy: -22.245
Base-Backbone interact. energy: -0.036
local terms energy: -49.375348
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -78.250931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.250931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.250931 (E_RNA)
where:
Base-Base interactions energy: -30.442
where: short stacking energy: -26.023
Base-Backbone interact. energy: -1.167
local terms energy: -46.641506
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -213.842818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.842818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.842818 (E_RNA)
where:
Base-Base interactions energy: -147.179
where: short stacking energy: -62.449
Base-Backbone interact. energy: -0.499
local terms energy: -66.163876
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -19.159
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: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -199.182559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.182559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.182559 (E_RNA)
where:
Base-Base interactions energy: -132.846
where: short stacking energy: -64.029
Base-Backbone interact. energy: -0.011
local terms energy: -66.325830
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -9.871
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: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -173.903578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.903578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.903578 (E_RNA)
where:
Base-Base interactions energy: -105.456
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.028
local terms energy: -68.419740
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -177.522179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.522179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.522179 (E_RNA)
where:
Base-Base interactions energy: -115.934
where: short stacking energy: -50.568
Base-Backbone interact. energy: -0.391
local terms energy: -61.197352
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -108.054489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.054489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.054489 (E_RNA)
where:
Base-Base interactions energy: -49.551
where: short stacking energy: -38.547
Base-Backbone interact. energy: -0.336
local terms energy: -58.167246
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -94.134013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.134013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.134013 (E_RNA)
where:
Base-Base interactions energy: -42.790
where: short stacking energy: -42.790
Base-Backbone interact. energy: -0.108
local terms energy: -51.235866
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -126.028787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.028787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.028787 (E_RNA)
where:
Base-Base interactions energy: -73.694
where: short stacking energy: -36.764
Base-Backbone interact. energy: -0.540
local terms energy: -51.795037
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -87.880603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.880603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.880603 (E_RNA)
where:
Base-Base interactions energy: -39.208
where: short stacking energy: -27.235
Base-Backbone interact. energy: -1.228
local terms energy: -47.444106
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -5.638
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -81.137153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.137153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.137153 (E_RNA)
where:
Base-Base interactions energy: -32.923
where: short stacking energy: -26.126
Base-Backbone interact. energy: -0.578
local terms energy: -47.635621
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -79.603642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.603642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.603642 (E_RNA)
where:
Base-Base interactions energy: -30.257
where: short stacking energy: -30.357
Base-Backbone interact. energy: -0.135
local terms energy: -49.211307
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -203.796346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.796346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.796346 (E_RNA)
where:
Base-Base interactions energy: -122.043
where: short stacking energy: -69.371
Base-Backbone interact. energy: -0.236
local terms energy: -81.517229
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -19.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -196.813514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.813514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.813514 (E_RNA)
where:
Base-Base interactions energy: -128.476
where: short stacking energy: -62.339
Base-Backbone interact. energy: -0.024
local terms energy: -68.312555
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -183.041004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.041004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.041004 (E_RNA)
where:
Base-Base interactions energy: -112.237
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.005
local terms energy: -70.799033
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -13.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -170.276299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.276299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.276299 (E_RNA)
where:
Base-Base interactions energy: -99.516
where: short stacking energy: -56.119
Base-Backbone interact. energy: -0.659
local terms energy: -70.100721
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -113.494773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.494773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.494773 (E_RNA)
where:
Base-Base interactions energy: -46.806
where: short stacking energy: -46.113
Base-Backbone interact. energy: 0.666
local terms energy: -67.354662
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -9.233
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: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -120.878118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.878118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.878118 (E_RNA)
where:
Base-Base interactions energy: -61.718
where: short stacking energy: -44.802
Base-Backbone interact. energy: -0.146
local terms energy: -59.014154
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -1.263
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -121.318640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.318640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.318640 (E_RNA)
where:
Base-Base interactions energy: -66.546
where: short stacking energy: -39.346
Base-Backbone interact. energy: -0.268
local terms energy: -54.504716
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -10.600
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -7.193
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: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -83.102206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.102206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.102206 (E_RNA)
where:
Base-Base interactions energy: -36.124
where: short stacking energy: -25.174
Base-Backbone interact. energy: -0.048
local terms energy: -46.930555
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -88.683886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.683886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.683886 (E_RNA)
where:
Base-Base interactions energy: -37.783
where: short stacking energy: -34.195
Base-Backbone interact. energy: -0.113
local terms energy: -50.787874
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -84.756579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.756579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.756579 (E_RNA)
where:
Base-Base interactions energy: -34.180
where: short stacking energy: -34.180
Base-Backbone interact. energy: 0.960
local terms energy: -51.536553
where:
bonds (distance) C4'-P energy: -5.356
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -213.167794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.167794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.167794 (E_RNA)
where:
Base-Base interactions energy: -137.750
where: short stacking energy: -59.695
Base-Backbone interact. energy: -0.611
local terms energy: -74.807278
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -209.640985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.640985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.640985 (E_RNA)
where:
Base-Base interactions energy: -142.788
where: short stacking energy: -58.772
Base-Backbone interact. energy: -0.489
local terms energy: -66.363921
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -11.174
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: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -173.996775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.996775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.996775 (E_RNA)
where:
Base-Base interactions energy: -103.248
where: short stacking energy: -57.952
Base-Backbone interact. energy: -0.104
local terms energy: -70.644832
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -163.896108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.896108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.896108 (E_RNA)
where:
Base-Base interactions energy: -99.862
where: short stacking energy: -58.335
Base-Backbone interact. energy: -0.055
local terms energy: -63.979860
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -13.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -125.567833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.567833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.567833 (E_RNA)
where:
Base-Base interactions energy: -65.751
where: short stacking energy: -31.126
Base-Backbone interact. energy: -0.787
local terms energy: -59.029718
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -118.494971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.494971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.494971 (E_RNA)
where:
Base-Base interactions energy: -56.076
where: short stacking energy: -39.171
Base-Backbone interact. energy: -0.063
local terms energy: -62.355589
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -6.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -109.768331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.768331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.768331 (E_RNA)
where:
Base-Base interactions energy: -51.692
where: short stacking energy: -43.329
Base-Backbone interact. energy: 0.014
local terms energy: -58.091151
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -88.090483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.090483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.090483 (E_RNA)
where:
Base-Base interactions energy: -40.779
where: short stacking energy: -31.757
Base-Backbone interact. energy: -0.115
local terms energy: -47.195995
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -76.868823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.868823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.868823 (E_RNA)
where:
Base-Base interactions energy: -27.792
where: short stacking energy: -26.825
Base-Backbone interact. energy: -0.204
local terms energy: -48.873540
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -84.061443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.061443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.061443 (E_RNA)
where:
Base-Base interactions energy: -34.520
where: short stacking energy: -29.312
Base-Backbone interact. energy: -0.169
local terms energy: -49.372013
where:
bonds (distance) C4'-P energy: -6.882
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -6.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -215.002519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.002519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.002519 (E_RNA)
where:
Base-Base interactions energy: -135.633
where: short stacking energy: -63.828
Base-Backbone interact. energy: -0.520
local terms energy: -78.848899
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -203.571087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.571087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.571087 (E_RNA)
where:
Base-Base interactions energy: -139.978
where: short stacking energy: -66.922
Base-Backbone interact. energy: -1.864
local terms energy: -61.728465
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -5.484
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: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -188.349449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.349449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.349449 (E_RNA)
where:
Base-Base interactions energy: -111.975
where: short stacking energy: -62.389
Base-Backbone interact. energy: -0.103
local terms energy: -76.271450
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -152.510133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.510133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.510133 (E_RNA)
where:
Base-Base interactions energy: -89.049
where: short stacking energy: -42.164
Base-Backbone interact. energy: -0.023
local terms energy: -63.437621
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -126.247132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.247132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.247132 (E_RNA)
where:
Base-Base interactions energy: -60.214
where: short stacking energy: -53.412
Base-Backbone interact. energy: -0.026
local terms energy: -66.006853
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -13.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -108.871038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.871038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.871038 (E_RNA)
where:
Base-Base interactions energy: -58.425
where: short stacking energy: -32.052
Base-Backbone interact. energy: -0.116
local terms energy: -50.330248
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -7.224
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: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -107.214216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.214216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.214216 (E_RNA)
where:
Base-Base interactions energy: -47.091
where: short stacking energy: -35.586
Base-Backbone interact. energy: -0.101
local terms energy: -60.021994
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -85.522931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.522931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.522931 (E_RNA)
where:
Base-Base interactions energy: -28.131
where: short stacking energy: -26.784
Base-Backbone interact. energy: -0.104
local terms energy: -57.287020
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -121.936694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.936694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.936694 (E_RNA)
where:
Base-Base interactions energy: -72.402
where: short stacking energy: -44.634
Base-Backbone interact. energy: -1.169
local terms energy: -48.365333
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -2.399
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -76.111058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.111058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.111058 (E_RNA)
where:
Base-Base interactions energy: -29.538
where: short stacking energy: -26.543
Base-Backbone interact. energy: -1.193
local terms energy: -45.380737
where:
bonds (distance) C4'-P energy: -7.173
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -5.344
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: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -211.979189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.979189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.979189 (E_RNA)
where:
Base-Base interactions energy: -138.264
where: short stacking energy: -62.305
Base-Backbone interact. energy: -0.405
local terms energy: -73.310811
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -205.722164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.722164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.722164 (E_RNA)
where:
Base-Base interactions energy: -135.998
where: short stacking energy: -66.738
Base-Backbone interact. energy: -0.017
local terms energy: -69.706781
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -161.742503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.742503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.742503 (E_RNA)
where:
Base-Base interactions energy: -104.999
where: short stacking energy: -60.761
Base-Backbone interact. energy: -0.056
local terms energy: -56.687526
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -172.281931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.281931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.281931 (E_RNA)
where:
Base-Base interactions energy: -102.370
where: short stacking energy: -64.472
Base-Backbone interact. energy: -0.212
local terms energy: -69.700081
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -20.498
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: 5, replica: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -94.304165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.304165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.304165 (E_RNA)
where:
Base-Base interactions energy: -42.005
where: short stacking energy: -37.670
Base-Backbone interact. energy: -0.222
local terms energy: -52.077100
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -101.274390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.274390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.274390 (E_RNA)
where:
Base-Base interactions energy: -40.266
where: short stacking energy: -36.676
Base-Backbone interact. energy: -0.048
local terms energy: -60.959821
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -92.014709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.014709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.014709 (E_RNA)
where:
Base-Base interactions energy: -39.478
where: short stacking energy: -35.800
Base-Backbone interact. energy: 0.375
local terms energy: -52.911727
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -1.362
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: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -89.022086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.022086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.022086 (E_RNA)
where:
Base-Base interactions energy: -41.500
where: short stacking energy: -30.427
Base-Backbone interact. energy: 4.280
local terms energy: -51.801194
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -81.770524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.770524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.770524 (E_RNA)
where:
Base-Base interactions energy: -33.110
where: short stacking energy: -14.808
Base-Backbone interact. energy: -1.315
local terms energy: -47.345683
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: 3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -74.170550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.170550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.170550 (E_RNA)
where:
Base-Base interactions energy: -34.858
where: short stacking energy: -15.889
Base-Backbone interact. energy: -0.840
local terms energy: -38.473377
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: 3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -205.722189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.722189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.722189 (E_RNA)
where:
Base-Base interactions energy: -142.425
where: short stacking energy: -64.195
Base-Backbone interact. energy: -0.031
local terms energy: -63.266543
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -15.802
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: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -196.519428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.519428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.519428 (E_RNA)
where:
Base-Base interactions energy: -119.265
where: short stacking energy: -69.818
Base-Backbone interact. energy: -0.004
local terms energy: -77.250419
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -10.362
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: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -184.365602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.365602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.365602 (E_RNA)
where:
Base-Base interactions energy: -117.314
where: short stacking energy: -51.444
Base-Backbone interact. energy: -0.116
local terms energy: -66.935738
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -160.823768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.823768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.823768 (E_RNA)
where:
Base-Base interactions energy: -96.095
where: short stacking energy: -49.483
Base-Backbone interact. energy: -0.021
local terms energy: -64.707453
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -103.535306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.535306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.535306 (E_RNA)
where:
Base-Base interactions energy: -40.038
where: short stacking energy: -40.038
Base-Backbone interact. energy: -0.039
local terms energy: -63.457712
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -9.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -103.374077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.374077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.374077 (E_RNA)
where:
Base-Base interactions energy: -41.261
where: short stacking energy: -34.735
Base-Backbone interact. energy: -0.114
local terms energy: -61.999320
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -106.178845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.178845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.178845 (E_RNA)
where:
Base-Base interactions energy: -62.997
where: short stacking energy: -21.396
Base-Backbone interact. energy: -0.667
local terms energy: -42.514098
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -87.452424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.452424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.452424 (E_RNA)
where:
Base-Base interactions energy: -31.219
where: short stacking energy: -29.330
Base-Backbone interact. energy: 1.275
local terms energy: -57.508152
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -83.578650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.578650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.578650 (E_RNA)
where:
Base-Base interactions energy: -30.637
where: short stacking energy: -28.549
Base-Backbone interact. energy: -0.275
local terms energy: -52.667187
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -77.268206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.268206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.268206 (E_RNA)
where:
Base-Base interactions energy: -38.544
where: short stacking energy: -18.742
Base-Backbone interact. energy: 0.900
local terms energy: -39.624015
where:
bonds (distance) C4'-P energy: -8.363
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -6.099
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -213.305345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.305345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.305345 (E_RNA)
where:
Base-Base interactions energy: -136.258
where: short stacking energy: -63.194
Base-Backbone interact. energy: -0.253
local terms energy: -76.794915
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -194.932632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.932632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.932632 (E_RNA)
where:
Base-Base interactions energy: -118.666
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.000
local terms energy: -76.266069
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -20.390
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: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -185.041759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.041759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.041759 (E_RNA)
where:
Base-Base interactions energy: -130.860
where: short stacking energy: -66.553
Base-Backbone interact. energy: 0.805
local terms energy: -54.986871
where:
bonds (distance) C4'-P energy: -8.018
bonds (distance) P-C4' energy: -10.360
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -10.810
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: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -156.748113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.748113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.748113 (E_RNA)
where:
Base-Base interactions energy: -102.408
where: short stacking energy: -52.613
Base-Backbone interact. energy: -0.020
local terms energy: -54.320334
where:
bonds (distance) C4'-P energy: -8.329
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -10.267
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: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -96.607573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.607573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.607573 (E_RNA)
where:
Base-Base interactions energy: -41.192
where: short stacking energy: -32.354
Base-Backbone interact. energy: -0.224
local terms energy: -55.191642
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -4.564
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: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -102.537607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.537607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.537607 (E_RNA)
where:
Base-Base interactions energy: -43.300
where: short stacking energy: -36.373
Base-Backbone interact. energy: -0.148
local terms energy: -59.089488
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -111.286223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.286223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.286223 (E_RNA)
where:
Base-Base interactions energy: -52.389
where: short stacking energy: -37.235
Base-Backbone interact. energy: -0.380
local terms energy: -58.517423
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -7.402
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: 92
Temperature: 1.250000
Total energy: -82.424677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.424677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.424677 (E_RNA)
where:
Base-Base interactions energy: -35.975
where: short stacking energy: -29.818
Base-Backbone interact. energy: 0.628
local terms energy: -47.078008
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -77.336540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.336540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.336540 (E_RNA)
where:
Base-Base interactions energy: -23.944
where: short stacking energy: -20.816
Base-Backbone interact. energy: -0.038
local terms energy: -53.355068
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -73.573751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.573751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.573751 (E_RNA)
where:
Base-Base interactions energy: -26.783
where: short stacking energy: -25.390
Base-Backbone interact. energy: 0.093
local terms energy: -46.883693
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -1.857
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: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -208.509831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.509831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.509831 (E_RNA)
where:
Base-Base interactions energy: -136.598
where: short stacking energy: -58.560
Base-Backbone interact. energy: -0.302
local terms energy: -71.609885
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -16.844
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: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -185.272802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.272802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.272802 (E_RNA)
where:
Base-Base interactions energy: -123.597
where: short stacking energy: -51.757
Base-Backbone interact. energy: -0.416
local terms energy: -61.259860
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -8.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -185.237296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.237296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.237296 (E_RNA)
where:
Base-Base interactions energy: -123.060
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.041
local terms energy: -62.136705
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -11.117
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: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -168.227755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.227755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.227755 (E_RNA)
where:
Base-Base interactions energy: -103.180
where: short stacking energy: -60.387
Base-Backbone interact. energy: -0.107
local terms energy: -64.941048
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -111.531290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.531290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.531290 (E_RNA)
where:
Base-Base interactions energy: -48.418
where: short stacking energy: -48.418
Base-Backbone interact. energy: -0.108
local terms energy: -63.005782
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -9.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -102.039299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.039299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.039299 (E_RNA)
where:
Base-Base interactions energy: -51.230
where: short stacking energy: -39.889
Base-Backbone interact. energy: 0.857
local terms energy: -51.666004
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -92.424983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.424983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.424983 (E_RNA)
where:
Base-Base interactions energy: -44.350
where: short stacking energy: -37.851
Base-Backbone interact. energy: -0.197
local terms energy: -47.877584
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -1.885
tors. eta vs tors. theta energy: -3.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -85.913846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.913846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.913846 (E_RNA)
where:
Base-Base interactions energy: -40.142
where: short stacking energy: -26.514
Base-Backbone interact. energy: -0.350
local terms energy: -45.421343
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -83.924049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.924049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.924049 (E_RNA)
where:
Base-Base interactions energy: -34.571
where: short stacking energy: -33.427
Base-Backbone interact. energy: -0.119
local terms energy: -49.234010
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: 0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -84.943366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.943366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.943366 (E_RNA)
where:
Base-Base interactions energy: -40.281
where: short stacking energy: -29.091
Base-Backbone interact. energy: -0.321
local terms energy: -44.341003
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -194.849166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.849166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.849166 (E_RNA)
where:
Base-Base interactions energy: -127.488
where: short stacking energy: -63.557
Base-Backbone interact. energy: -0.096
local terms energy: -67.264997
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -15.569
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: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -190.067362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.067362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.067362 (E_RNA)
where:
Base-Base interactions energy: -122.432
where: short stacking energy: -58.282
Base-Backbone interact. energy: -0.130
local terms energy: -67.506160
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -180.576936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.576936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.576936 (E_RNA)
where:
Base-Base interactions energy: -109.866
where: short stacking energy: -60.769
Base-Backbone interact. energy: -0.177
local terms energy: -70.533772
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -14.581
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: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -182.025833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.025833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.025833 (E_RNA)
where:
Base-Base interactions energy: -118.111
where: short stacking energy: -57.235
Base-Backbone interact. energy: -0.188
local terms energy: -63.726685
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -9.107
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: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -97.809270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.809270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.809270 (E_RNA)
where:
Base-Base interactions energy: -42.057
where: short stacking energy: -27.673
Base-Backbone interact. energy: -0.244
local terms energy: -55.508605
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -93.685549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.685549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.685549 (E_RNA)
where:
Base-Base interactions energy: -36.714
where: short stacking energy: -37.514
Base-Backbone interact. energy: -0.084
local terms energy: -56.887067
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -97.348483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.348483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.348483 (E_RNA)
where:
Base-Base interactions energy: -36.616
where: short stacking energy: -35.094
Base-Backbone interact. energy: -0.202
local terms energy: -60.530012
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -89.728445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.728445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.728445 (E_RNA)
where:
Base-Base interactions energy: -31.800
where: short stacking energy: -31.471
Base-Backbone interact. energy: 1.178
local terms energy: -59.106781
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -81.624382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.624382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.624382 (E_RNA)
where:
Base-Base interactions energy: -27.480
where: short stacking energy: -26.986
Base-Backbone interact. energy: -0.618
local terms energy: -53.526837
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -79.442517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.442517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.442517 (E_RNA)
where:
Base-Base interactions energy: -34.761
where: short stacking energy: -25.148
Base-Backbone interact. energy: -0.212
local terms energy: -44.469664
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: 0.070
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -183.578558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.578558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.578558 (E_RNA)
where:
Base-Base interactions energy: -105.408
where: short stacking energy: -52.240
Base-Backbone interact. energy: -1.217
local terms energy: -76.953697
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -12.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -187.150121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.150121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.150121 (E_RNA)
where:
Base-Base interactions energy: -118.352
where: short stacking energy: -63.085
Base-Backbone interact. energy: -0.137
local terms energy: -68.660890
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -8.777
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: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -188.762273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.762273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.762273 (E_RNA)
where:
Base-Base interactions energy: -123.559
where: short stacking energy: -51.304
Base-Backbone interact. energy: -0.051
local terms energy: -65.152337
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -13.197
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: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -183.300667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.300667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.300667 (E_RNA)
where:
Base-Base interactions energy: -115.573
where: short stacking energy: -58.884
Base-Backbone interact. energy: 0.151
local terms energy: -67.877868
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -12.014
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: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -131.723043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.723043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.723043 (E_RNA)
where:
Base-Base interactions energy: -75.842
where: short stacking energy: -38.549
Base-Backbone interact. energy: -0.010
local terms energy: -55.871254
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -117.957389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.957389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.957389 (E_RNA)
where:
Base-Base interactions energy: -51.260
where: short stacking energy: -51.260
Base-Backbone interact. energy: -0.131
local terms energy: -66.565549
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -95.437144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.437144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.437144 (E_RNA)
where:
Base-Base interactions energy: -40.272
where: short stacking energy: -40.272
Base-Backbone interact. energy: -0.079
local terms energy: -55.086417
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -10.421
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: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -91.933727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.933727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.933727 (E_RNA)
where:
Base-Base interactions energy: -36.410
where: short stacking energy: -36.410
Base-Backbone interact. energy: -0.111
local terms energy: -55.412613
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -81.881429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.881429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.881429 (E_RNA)
where:
Base-Base interactions energy: -33.455
where: short stacking energy: -23.501
Base-Backbone interact. energy: -0.163
local terms energy: -48.262979
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -87.435270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.435270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.435270 (E_RNA)
where:
Base-Base interactions energy: -42.705
where: short stacking energy: -25.410
Base-Backbone interact. energy: -1.039
local terms energy: -43.691251
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -0.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -193.101106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.101106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.101106 (E_RNA)
where:
Base-Base interactions energy: -120.332
where: short stacking energy: -64.465
Base-Backbone interact. energy: -0.196
local terms energy: -72.572981
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -14.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -198.597772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.597772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.597772 (E_RNA)
where:
Base-Base interactions energy: -133.495
where: short stacking energy: -63.871
Base-Backbone interact. energy: 0.136
local terms energy: -65.238098
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -17.528
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: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -202.729366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.729366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.729366 (E_RNA)
where:
Base-Base interactions energy: -126.920
where: short stacking energy: -66.287
Base-Backbone interact. energy: -0.001
local terms energy: -75.807598
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -22.586
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: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -186.372907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.372907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.372907 (E_RNA)
where:
Base-Base interactions energy: -116.155
where: short stacking energy: -51.263
Base-Backbone interact. energy: -0.110
local terms energy: -70.107213
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -171.302966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.302966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.302966 (E_RNA)
where:
Base-Base interactions energy: -114.454
where: short stacking energy: -51.078
Base-Backbone interact. energy: -1.402
local terms energy: -55.447003
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -101.938249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.938249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.938249 (E_RNA)
where:
Base-Base interactions energy: -46.338
where: short stacking energy: -42.064
Base-Backbone interact. energy: -0.694
local terms energy: -54.907028
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -8.568
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -5.231
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: 7, replica: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -104.049259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.049259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.049259 (E_RNA)
where:
Base-Base interactions energy: -45.587
where: short stacking energy: -40.936
Base-Backbone interact. energy: -0.145
local terms energy: -58.316993
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -85.888855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.888855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.888855 (E_RNA)
where:
Base-Base interactions energy: -30.696
where: short stacking energy: -29.710
Base-Backbone interact. energy: -0.142
local terms energy: -55.051445
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -84.460432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.460432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.460432 (E_RNA)
where:
Base-Base interactions energy: -43.689
where: short stacking energy: -27.771
Base-Backbone interact. energy: 0.229
local terms energy: -41.000714
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -9.154
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -80.343422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.343422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.343422 (E_RNA)
where:
Base-Base interactions energy: -32.336
where: short stacking energy: -32.265
Base-Backbone interact. energy: -0.322
local terms energy: -47.685363
where:
bonds (distance) C4'-P energy: -7.654
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -187.299888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.299888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.299888 (E_RNA)
where:
Base-Base interactions energy: -119.171
where: short stacking energy: -62.258
Base-Backbone interact. energy: -0.278
local terms energy: -67.849963
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -185.738095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.738095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.738095 (E_RNA)
where:
Base-Base interactions energy: -119.788
where: short stacking energy: -60.521
Base-Backbone interact. energy: 0.328
local terms energy: -66.278544
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -17.388
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: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -183.999903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.999903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.999903 (E_RNA)
where:
Base-Base interactions energy: -108.734
where: short stacking energy: -58.450
Base-Backbone interact. energy: -0.394
local terms energy: -74.871849
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -17.336
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: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -174.102477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.102477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.102477 (E_RNA)
where:
Base-Base interactions energy: -111.738
where: short stacking energy: -54.716
Base-Backbone interact. energy: 0.383
local terms energy: -62.747722
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -164.637530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.637530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.637530 (E_RNA)
where:
Base-Base interactions energy: -104.381
where: short stacking energy: -53.322
Base-Backbone interact. energy: 0.276
local terms energy: -60.532386
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -97.029899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.029899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.029899 (E_RNA)
where:
Base-Base interactions energy: -43.981
where: short stacking energy: -37.769
Base-Backbone interact. energy: -0.030
local terms energy: -53.019410
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -6.439
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: 97
Temperature: 1.200000
Total energy: -94.566944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.566944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.566944 (E_RNA)
where:
Base-Base interactions energy: -41.192
where: short stacking energy: -35.074
Base-Backbone interact. energy: -0.103
local terms energy: -53.272159
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -84.114156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.114156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.114156 (E_RNA)
where:
Base-Base interactions energy: -42.161
where: short stacking energy: -23.320
Base-Backbone interact. energy: -0.577
local terms energy: -41.376380
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -9.656
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -4.447
tors. eta vs tors. theta energy: 0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -90.591421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.591421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.591421 (E_RNA)
where:
Base-Base interactions energy: -32.523
where: short stacking energy: -29.216
Base-Backbone interact. energy: 1.041
local terms energy: -59.109112
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -85.985500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.985500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.985500 (E_RNA)
where:
Base-Base interactions energy: -38.644
where: short stacking energy: -33.641
Base-Backbone interact. energy: -0.347
local terms energy: -46.994957
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -7.336
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -199.629801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.629801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.629801 (E_RNA)
where:
Base-Base interactions energy: -120.599
where: short stacking energy: -53.071
Base-Backbone interact. energy: -0.124
local terms energy: -78.907114
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -13.565
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: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -178.768223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.768223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.768223 (E_RNA)
where:
Base-Base interactions energy: -115.278
where: short stacking energy: -61.609
Base-Backbone interact. energy: -0.213
local terms energy: -63.276410
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -10.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -204.221334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.221334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.221334 (E_RNA)
where:
Base-Base interactions energy: -130.660
where: short stacking energy: -61.728
Base-Backbone interact. energy: -0.081
local terms energy: -73.480286
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -179.203769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.203769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.203769 (E_RNA)
where:
Base-Base interactions energy: -122.349
where: short stacking energy: -50.021
Base-Backbone interact. energy: -0.177
local terms energy: -56.678413
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -0.773
tors. eta vs tors. theta energy: -11.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -170.533883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.533883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.533883 (E_RNA)
where:
Base-Base interactions energy: -105.827
where: short stacking energy: -59.780
Base-Backbone interact. energy: -0.002
local terms energy: -64.704566
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -10.176
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: 6, replica: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -111.628533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.628533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.628533 (E_RNA)
where:
Base-Base interactions energy: -50.406
where: short stacking energy: -50.406
Base-Backbone interact. energy: -0.092
local terms energy: -61.131048
where:
bonds (distance) C4'-P energy: -7.329
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -13.637
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: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -111.427896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.427896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.427896 (E_RNA)
where:
Base-Base interactions energy: -54.645
where: short stacking energy: -32.136
Base-Backbone interact. energy: -0.064
local terms energy: -56.718552
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -9.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -83.474718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.474718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.474718 (E_RNA)
where:
Base-Base interactions energy: -38.450
where: short stacking energy: -23.933
Base-Backbone interact. energy: 1.140
local terms energy: -46.164274
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: 3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -84.992668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.992668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.992668 (E_RNA)
where:
Base-Base interactions energy: -32.601
where: short stacking energy: -28.524
Base-Backbone interact. energy: -0.115
local terms energy: -52.276729
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -77.281259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.281259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.281259 (E_RNA)
where:
Base-Base interactions energy: -33.099
where: short stacking energy: -26.973
Base-Backbone interact. energy: -0.215
local terms energy: -43.966479
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -2.880
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -207.476271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.476271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.476271 (E_RNA)
where:
Base-Base interactions energy: -136.412
where: short stacking energy: -65.130
Base-Backbone interact. energy: -0.015
local terms energy: -71.049221
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.824
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: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -176.303736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.303736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.303736 (E_RNA)
where:
Base-Base interactions energy: -109.249
where: short stacking energy: -53.955
Base-Backbone interact. energy: 1.012
local terms energy: -68.066621
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -10.832
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: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -180.043198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.043198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.043198 (E_RNA)
where:
Base-Base interactions energy: -109.734
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.202
local terms energy: -70.107352
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -12.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -164.084382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.084382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.084382 (E_RNA)
where:
Base-Base interactions energy: -101.064
where: short stacking energy: -43.259
Base-Backbone interact. energy: -0.434
local terms energy: -62.586545
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -172.879313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.879313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.879313 (E_RNA)
where:
Base-Base interactions energy: -116.650
where: short stacking energy: -53.912
Base-Backbone interact. energy: 0.866
local terms energy: -57.094719
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -106.306851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.306851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.306851 (E_RNA)
where:
Base-Base interactions energy: -59.006
where: short stacking energy: -44.588
Base-Backbone interact. energy: -0.184
local terms energy: -47.117033
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -89.435940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.435940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.435940 (E_RNA)
where:
Base-Base interactions energy: -35.387
where: short stacking energy: -35.387
Base-Backbone interact. energy: -0.208
local terms energy: -53.840972
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -96.477437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.477437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.477437 (E_RNA)
where:
Base-Base interactions energy: -35.161
where: short stacking energy: -32.583
Base-Backbone interact. energy: -0.101
local terms energy: -61.215502
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -8.195
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: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -97.586178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.586178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.586178 (E_RNA)
where:
Base-Base interactions energy: -51.864
where: short stacking energy: -36.923
Base-Backbone interact. energy: -0.682
local terms energy: -45.039765
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -5.562
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: 10, replica: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -75.584387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.584387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.584387 (E_RNA)
where:
Base-Base interactions energy: -26.871
where: short stacking energy: -24.623
Base-Backbone interact. energy: -0.220
local terms energy: -48.493163
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -207.047164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.047164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.047164 (E_RNA)
where:
Base-Base interactions energy: -132.990
where: short stacking energy: -65.047
Base-Backbone interact. energy: -0.005
local terms energy: -74.052209
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -17.926
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: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -190.804666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.804666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.804666 (E_RNA)
where:
Base-Base interactions energy: -123.263
where: short stacking energy: -60.221
Base-Backbone interact. energy: -0.024
local terms energy: -67.518150
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -178.161488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.161488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.161488 (E_RNA)
where:
Base-Base interactions energy: -107.802
where: short stacking energy: -51.089
Base-Backbone interact. energy: -0.260
local terms energy: -70.099981
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -10.718
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: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -157.145093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.145093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.145093 (E_RNA)
where:
Base-Base interactions energy: -92.050
where: short stacking energy: -56.999
Base-Backbone interact. energy: -0.603
local terms energy: -64.491928
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -8.849
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: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -161.747723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.747723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.747723 (E_RNA)
where:
Base-Base interactions energy: -96.703
where: short stacking energy: -46.405
Base-Backbone interact. energy: -0.883
local terms energy: -64.161712
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -13.036
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: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -103.770704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.770704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.770704 (E_RNA)
where:
Base-Base interactions energy: -52.740
where: short stacking energy: -28.068
Base-Backbone interact. energy: -0.448
local terms energy: -50.581885
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: 0.458
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: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -127.700277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.700277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.700277 (E_RNA)
where:
Base-Base interactions energy: -71.095
where: short stacking energy: -36.257
Base-Backbone interact. energy: -0.066
local terms energy: -56.538904
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -88.698566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.698566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.698566 (E_RNA)
where:
Base-Base interactions energy: -34.280
where: short stacking energy: -26.055
Base-Backbone interact. energy: -1.052
local terms energy: -53.366764
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -79.010287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.010287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.010287 (E_RNA)
where:
Base-Base interactions energy: -27.514
where: short stacking energy: -21.413
Base-Backbone interact. energy: -0.084
local terms energy: -51.412453
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: 1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -78.040964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.040964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.040964 (E_RNA)
where:
Base-Base interactions energy: -32.408
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.118
local terms energy: -45.515409
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -9.156
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -203.812747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.812747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.812747 (E_RNA)
where:
Base-Base interactions energy: -129.348
where: short stacking energy: -58.684
Base-Backbone interact. energy: -0.006
local terms energy: -74.458025
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -184.214164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.214164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.214164 (E_RNA)
where:
Base-Base interactions energy: -116.546
where: short stacking energy: -56.077
Base-Backbone interact. energy: -0.009
local terms energy: -67.659068
where:
bonds (distance) C4'-P energy: -8.411
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -188.086558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.086558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.086558 (E_RNA)
where:
Base-Base interactions energy: -121.138
where: short stacking energy: -61.179
Base-Backbone interact. energy: -0.008
local terms energy: -66.940404
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -16.428
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: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -166.785308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.785308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.785308 (E_RNA)
where:
Base-Base interactions energy: -109.244
where: short stacking energy: -53.078
Base-Backbone interact. energy: -0.129
local terms energy: -57.412263
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -164.164612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.164612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.164612 (E_RNA)
where:
Base-Base interactions energy: -93.634
where: short stacking energy: -59.309
Base-Backbone interact. energy: 0.356
local terms energy: -70.886741
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -10.326
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: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -107.455840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.455840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.455840 (E_RNA)
where:
Base-Base interactions energy: -49.922
where: short stacking energy: -39.697
Base-Backbone interact. energy: -0.177
local terms energy: -57.356492
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -7.075
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: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -132.621717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.621717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.621717 (E_RNA)
where:
Base-Base interactions energy: -77.313
where: short stacking energy: -44.195
Base-Backbone interact. energy: 3.344
local terms energy: -58.652930
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -9.287
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: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -85.010927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.010927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.010927 (E_RNA)
where:
Base-Base interactions energy: -29.996
where: short stacking energy: -24.216
Base-Backbone interact. energy: -1.038
local terms energy: -53.976602
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: 0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -71.954661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.954661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.954661 (E_RNA)
where:
Base-Base interactions energy: -34.126
where: short stacking energy: -26.515
Base-Backbone interact. energy: 0.278
local terms energy: -38.106089
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -7.371
flat angles P-C4'-P energy: -2.192
tors. eta vs tors. theta energy: 0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -104.531387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.531387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.531387 (E_RNA)
where:
Base-Base interactions energy: -49.534
where: short stacking energy: -33.845
Base-Backbone interact. energy: -0.097
local terms energy: -54.900069
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -9.472
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -186.683373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.683373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.683373 (E_RNA)
where:
Base-Base interactions energy: -124.501
where: short stacking energy: -57.169
Base-Backbone interact. energy: -0.013
local terms energy: -62.169986
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -199.224357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.224357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.224357 (E_RNA)
where:
Base-Base interactions energy: -131.236
where: short stacking energy: -59.439
Base-Backbone interact. energy: -0.327
local terms energy: -67.661532
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -182.402347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.402347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.402347 (E_RNA)
where:
Base-Base interactions energy: -118.162
where: short stacking energy: -42.569
Base-Backbone interact. energy: -0.486
local terms energy: -63.755018
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -176.016226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.016226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.016226 (E_RNA)
where:
Base-Base interactions energy: -112.141
where: short stacking energy: -53.128
Base-Backbone interact. energy: -0.001
local terms energy: -63.874463
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -9.204
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: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -166.797043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.797043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.797043 (E_RNA)
where:
Base-Base interactions energy: -110.367
where: short stacking energy: -63.322
Base-Backbone interact. energy: -0.008
local terms energy: -56.421695
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -8.256
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: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -101.957692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.957692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.957692 (E_RNA)
where:
Base-Base interactions energy: -49.410
where: short stacking energy: -35.100
Base-Backbone interact. energy: 0.057
local terms energy: -52.604331
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -132.401976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.401976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.401976 (E_RNA)
where:
Base-Base interactions energy: -79.242
where: short stacking energy: -36.889
Base-Backbone interact. energy: 0.018
local terms energy: -53.178542
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -80.368554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.368554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.368554 (E_RNA)
where:
Base-Base interactions energy: -35.763
where: short stacking energy: -35.763
Base-Backbone interact. energy: -0.095
local terms energy: -44.510367
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: 1.677
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -80.707832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.707832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.707832 (E_RNA)
where:
Base-Base interactions energy: -28.358
where: short stacking energy: -24.317
Base-Backbone interact. energy: -0.149
local terms energy: -52.201059
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -86.291076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.291076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.291076 (E_RNA)
where:
Base-Base interactions energy: -39.278
where: short stacking energy: -31.551
Base-Backbone interact. energy: -0.506
local terms energy: -46.507510
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -1.441
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -206.474062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.474062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.474062 (E_RNA)
where:
Base-Base interactions energy: -125.212
where: short stacking energy: -64.245
Base-Backbone interact. energy: -0.010
local terms energy: -81.251338
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -194.927845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.927845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.927845 (E_RNA)
where:
Base-Base interactions energy: -131.172
where: short stacking energy: -63.029
Base-Backbone interact. energy: -0.952
local terms energy: -62.803827
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -12.516
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: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -190.485770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.485770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.485770 (E_RNA)
where:
Base-Base interactions energy: -123.134
where: short stacking energy: -52.943
Base-Backbone interact. energy: -0.010
local terms energy: -67.341973
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -7.132
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: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -155.067636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.067636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.067636 (E_RNA)
where:
Base-Base interactions energy: -89.615
where: short stacking energy: -52.890
Base-Backbone interact. energy: -0.003
local terms energy: -65.449071
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -1.394
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -173.819252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.819252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.819252 (E_RNA)
where:
Base-Base interactions energy: -118.166
where: short stacking energy: -62.171
Base-Backbone interact. energy: -0.195
local terms energy: -55.458706
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -13.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -110.053774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.053774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.053774 (E_RNA)
where:
Base-Base interactions energy: -52.044
where: short stacking energy: -47.546
Base-Backbone interact. energy: 0.195
local terms energy: -58.204575
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -8.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -105.152877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.152877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.152877 (E_RNA)
where:
Base-Base interactions energy: -62.956
where: short stacking energy: -29.675
Base-Backbone interact. energy: -0.296
local terms energy: -41.900811
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -84.432430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.432430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.432430 (E_RNA)
where:
Base-Base interactions energy: -35.185
where: short stacking energy: -31.715
Base-Backbone interact. energy: -0.075
local terms energy: -49.172111
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -83.978691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.978691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.978691 (E_RNA)
where:
Base-Base interactions energy: -34.481
where: short stacking energy: -34.481
Base-Backbone interact. energy: -0.334
local terms energy: -49.162758
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -74.724156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.724156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.724156 (E_RNA)
where:
Base-Base interactions energy: -25.359
where: short stacking energy: -17.390
Base-Backbone interact. energy: -0.696
local terms energy: -48.669083
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -209.890345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.890345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.890345 (E_RNA)
where:
Base-Base interactions energy: -131.036
where: short stacking energy: -72.239
Base-Backbone interact. energy: -0.001
local terms energy: -78.853371
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -198.744001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.744001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.744001 (E_RNA)
where:
Base-Base interactions energy: -126.331
where: short stacking energy: -56.084
Base-Backbone interact. energy: -0.576
local terms energy: -71.836823
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -10.330
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: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -138.658293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.658293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.658293 (E_RNA)
where:
Base-Base interactions energy: -78.136
where: short stacking energy: -39.669
Base-Backbone interact. energy: 0.385
local terms energy: -60.907364
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -184.594645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.594645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.594645 (E_RNA)
where:
Base-Base interactions energy: -118.980
where: short stacking energy: -57.745
Base-Backbone interact. energy: -0.702
local terms energy: -64.912931
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -158.983140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.983140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.983140 (E_RNA)
where:
Base-Base interactions energy: -98.593
where: short stacking energy: -51.440
Base-Backbone interact. energy: -0.779
local terms energy: -59.611654
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -6.006
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: 6, replica: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -88.997841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.997841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.997841 (E_RNA)
where:
Base-Base interactions energy: -33.235
where: short stacking energy: -28.612
Base-Backbone interact. energy: -0.170
local terms energy: -55.592656
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -86.221377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.221377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.221377 (E_RNA)
where:
Base-Base interactions energy: -33.071
where: short stacking energy: -33.071
Base-Backbone interact. energy: -0.067
local terms energy: -53.083059
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -86.182734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.182734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.182734 (E_RNA)
where:
Base-Base interactions energy: -43.277
where: short stacking energy: -30.877
Base-Backbone interact. energy: -0.211
local terms energy: -42.694691
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -8.171
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -3.023
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: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -79.645528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.645528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.645528 (E_RNA)
where:
Base-Base interactions energy: -31.419
where: short stacking energy: -25.976
Base-Backbone interact. energy: -0.240
local terms energy: -47.986460
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -86.702800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.702800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.702800 (E_RNA)
where:
Base-Base interactions energy: -34.764
where: short stacking energy: -31.934
Base-Backbone interact. energy: -0.532
local terms energy: -51.405932
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -10.205
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -202.173477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.173477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.173477 (E_RNA)
where:
Base-Base interactions energy: -128.049
where: short stacking energy: -69.672
Base-Backbone interact. energy: -0.027
local terms energy: -74.097998
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -194.279040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.279040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.279040 (E_RNA)
where:
Base-Base interactions energy: -123.900
where: short stacking energy: -63.229
Base-Backbone interact. energy: -0.334
local terms energy: -70.045376
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -15.999
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: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -138.389961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.389961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.389961 (E_RNA)
where:
Base-Base interactions energy: -75.303
where: short stacking energy: -47.079
Base-Backbone interact. energy: -0.149
local terms energy: -62.938142
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -7.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -152.438990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.438990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.438990 (E_RNA)
where:
Base-Base interactions energy: -95.728
where: short stacking energy: -44.801
Base-Backbone interact. energy: -0.075
local terms energy: -56.636120
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -195.781776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.781776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.781776 (E_RNA)
where:
Base-Base interactions energy: -125.180
where: short stacking energy: -63.655
Base-Backbone interact. energy: -0.028
local terms energy: -70.573886
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -101.847419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.847419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.847419 (E_RNA)
where:
Base-Base interactions energy: -41.025
where: short stacking energy: -34.562
Base-Backbone interact. energy: -0.260
local terms energy: -60.562545
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -98.745726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.745726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.745726 (E_RNA)
where:
Base-Base interactions energy: -42.977
where: short stacking energy: -38.179
Base-Backbone interact. energy: -0.009
local terms energy: -55.759964
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -90.280086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.280086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.280086 (E_RNA)
where:
Base-Base interactions energy: -49.928
where: short stacking energy: -30.223
Base-Backbone interact. energy: -1.059
local terms energy: -39.292784
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: 0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -87.488879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.488879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.488879 (E_RNA)
where:
Base-Base interactions energy: -36.103
where: short stacking energy: -31.646
Base-Backbone interact. energy: -0.043
local terms energy: -51.342530
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -79.529202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.529202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.529202 (E_RNA)
where:
Base-Base interactions energy: -31.132
where: short stacking energy: -21.399
Base-Backbone interact. energy: -0.172
local terms energy: -48.225109
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -205.169746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.169746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.169746 (E_RNA)
where:
Base-Base interactions energy: -125.444
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.266
local terms energy: -79.460180
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -192.793915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.793915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.793915 (E_RNA)
where:
Base-Base interactions energy: -118.582
where: short stacking energy: -62.146
Base-Backbone interact. energy: -0.187
local terms energy: -74.024783
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -15.713
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: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -187.118865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.118865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.118865 (E_RNA)
where:
Base-Base interactions energy: -112.648
where: short stacking energy: -67.475
Base-Backbone interact. energy: -0.093
local terms energy: -74.377714
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -5.613
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: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -137.803266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.803266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.803266 (E_RNA)
where:
Base-Base interactions energy: -80.406
where: short stacking energy: -34.343
Base-Backbone interact. energy: -1.724
local terms energy: -55.673147
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -154.815398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.815398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.815398 (E_RNA)
where:
Base-Base interactions energy: -100.514
where: short stacking energy: -44.726
Base-Backbone interact. energy: -0.093
local terms energy: -54.208377
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -96.274203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.274203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.274203 (E_RNA)
where:
Base-Base interactions energy: -46.529
where: short stacking energy: -30.693
Base-Backbone interact. energy: -0.107
local terms energy: -49.638841
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -98.895433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.895433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.895433 (E_RNA)
where:
Base-Base interactions energy: -44.009
where: short stacking energy: -34.194
Base-Backbone interact. energy: -1.523
local terms energy: -53.363469
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -85.094926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.094926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.094926 (E_RNA)
where:
Base-Base interactions energy: -30.603
where: short stacking energy: -28.409
Base-Backbone interact. energy: -0.523
local terms energy: -53.969560
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -80.459785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.459785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.459785 (E_RNA)
where:
Base-Base interactions energy: -27.743
where: short stacking energy: -27.743
Base-Backbone interact. energy: -0.265
local terms energy: -52.451212
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -8.267
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: 10, replica: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -83.331593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.331593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.331593 (E_RNA)
where:
Base-Base interactions energy: -29.264
where: short stacking energy: -27.023
Base-Backbone interact. energy: -0.126
local terms energy: -53.942038
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -4.766
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: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -205.790974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.790974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.790974 (E_RNA)
where:
Base-Base interactions energy: -126.518
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.100
local terms energy: -79.172821
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -184.905974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.905974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.905974 (E_RNA)
where:
Base-Base interactions energy: -109.496
where: short stacking energy: -52.747
Base-Backbone interact. energy: -0.139
local terms energy: -75.270768
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -186.543281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.543281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.543281 (E_RNA)
where:
Base-Base interactions energy: -116.088
where: short stacking energy: -69.507
Base-Backbone interact. energy: -0.790
local terms energy: -69.664855
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -135.671356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.671356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.671356 (E_RNA)
where:
Base-Base interactions energy: -73.952
where: short stacking energy: -53.461
Base-Backbone interact. energy: -0.259
local terms energy: -61.460426
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -4.346
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -176.947202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.947202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.947202 (E_RNA)
where:
Base-Base interactions energy: -116.643
where: short stacking energy: -55.061
Base-Backbone interact. energy: -0.175
local terms energy: -60.129564
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -4.718
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -90.876094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.876094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.876094 (E_RNA)
where:
Base-Base interactions energy: -39.742
where: short stacking energy: -33.894
Base-Backbone interact. energy: -0.341
local terms energy: -50.793231
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -5.610
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: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -98.484464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.484464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.484464 (E_RNA)
where:
Base-Base interactions energy: -41.587
where: short stacking energy: -24.941
Base-Backbone interact. energy: -0.225
local terms energy: -56.672204
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -88.738379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.738379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.738379 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -33.362
Base-Backbone interact. energy: -0.050
local terms energy: -54.130379
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -5.402
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: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -80.879928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.879928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.879928 (E_RNA)
where:
Base-Base interactions energy: -32.594
where: short stacking energy: -32.035
Base-Backbone interact. energy: -0.120
local terms energy: -48.165960
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -8.332
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -89.730731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.730731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.730731 (E_RNA)
where:
Base-Base interactions energy: -37.521
where: short stacking energy: -36.118
Base-Backbone interact. energy: -0.000
local terms energy: -52.209860
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -6.151
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: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -196.799627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.799627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.799627 (E_RNA)
where:
Base-Base interactions energy: -122.671
where: short stacking energy: -53.375
Base-Backbone interact. energy: -0.181
local terms energy: -73.948559
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -13.408
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: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -201.002162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.002162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.002162 (E_RNA)
where:
Base-Base interactions energy: -131.392
where: short stacking energy: -65.542
Base-Backbone interact. energy: -1.028
local terms energy: -68.582024
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -16.006
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: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -177.766210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.766210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.766210 (E_RNA)
where:
Base-Base interactions energy: -103.107
where: short stacking energy: -62.524
Base-Backbone interact. energy: 0.097
local terms energy: -74.756540
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -10.827
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: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -128.800426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.800426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.800426 (E_RNA)
where:
Base-Base interactions energy: -76.621
where: short stacking energy: -18.054
Base-Backbone interact. energy: 0.228
local terms energy: -52.406604
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -156.875038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.875038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.875038 (E_RNA)
where:
Base-Base interactions energy: -92.848
where: short stacking energy: -39.297
Base-Backbone interact. energy: -0.307
local terms energy: -63.719836
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -118.810969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.810969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.810969 (E_RNA)
where:
Base-Base interactions energy: -60.973
where: short stacking energy: -32.294
Base-Backbone interact. energy: -0.441
local terms energy: -57.396327
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -85.292200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.292200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.292200 (E_RNA)
where:
Base-Base interactions energy: -37.186
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.017
local terms energy: -48.089354
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -8.985
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -5.582
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: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -81.335038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.335038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.335038 (E_RNA)
where:
Base-Base interactions energy: -38.927
where: short stacking energy: -37.736
Base-Backbone interact. energy: 1.418
local terms energy: -43.826487
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -3.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -72.929982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.929982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.929982 (E_RNA)
where:
Base-Base interactions energy: -28.412
where: short stacking energy: -28.412
Base-Backbone interact. energy: -0.168
local terms energy: -44.350744
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: 3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -77.690298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.690298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.690298 (E_RNA)
where:
Base-Base interactions energy: -29.089
where: short stacking energy: -29.089
Base-Backbone interact. energy: -0.478
local terms energy: -48.123519
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -2.697
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -194.029513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.029513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.029513 (E_RNA)
where:
Base-Base interactions energy: -120.166
where: short stacking energy: -61.038
Base-Backbone interact. energy: -0.173
local terms energy: -73.690616
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -201.403247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.403247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.403247 (E_RNA)
where:
Base-Base interactions energy: -124.860
where: short stacking energy: -69.827
Base-Backbone interact. energy: -0.127
local terms energy: -76.416071
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -18.157
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: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -173.411737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.411737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.411737 (E_RNA)
where:
Base-Base interactions energy: -110.622
where: short stacking energy: -54.159
Base-Backbone interact. energy: -0.046
local terms energy: -62.743154
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -12.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -166.443686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.443686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.443686 (E_RNA)
where:
Base-Base interactions energy: -102.406
where: short stacking energy: -53.939
Base-Backbone interact. energy: 1.134
local terms energy: -65.171195
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.307
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: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -159.169248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.169248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.169248 (E_RNA)
where:
Base-Base interactions energy: -99.581
where: short stacking energy: -47.311
Base-Backbone interact. energy: -0.658
local terms energy: -58.930216
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -90.497120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.497120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.497120 (E_RNA)
where:
Base-Base interactions energy: -36.405
where: short stacking energy: -34.550
Base-Backbone interact. energy: -0.301
local terms energy: -53.791160
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -2.432
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: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -104.962387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.962387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.962387 (E_RNA)
where:
Base-Base interactions energy: -55.064
where: short stacking energy: -27.734
Base-Backbone interact. energy: -0.482
local terms energy: -49.416076
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -7.730
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: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -95.516178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.516178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.516178 (E_RNA)
where:
Base-Base interactions energy: -40.808
where: short stacking energy: -32.648
Base-Backbone interact. energy: -0.445
local terms energy: -54.263008
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -79.197379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.197379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.197379 (E_RNA)
where:
Base-Base interactions energy: -32.239
where: short stacking energy: -21.584
Base-Backbone interact. energy: -0.493
local terms energy: -46.465421
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: 1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -80.154272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.154272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.154272 (E_RNA)
where:
Base-Base interactions energy: -26.106
where: short stacking energy: -26.106
Base-Backbone interact. energy: -0.119
local terms energy: -53.929366
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -209.378674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.378674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.378674 (E_RNA)
where:
Base-Base interactions energy: -135.382
where: short stacking energy: -63.156
Base-Backbone interact. energy: -1.061
local terms energy: -72.935574
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -11.034
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: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -190.435350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.435350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.435350 (E_RNA)
where:
Base-Base interactions energy: -126.714
where: short stacking energy: -63.005
Base-Backbone interact. energy: -0.010
local terms energy: -63.710611
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -14.017
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: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -210.159762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.159762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.159762 (E_RNA)
where:
Base-Base interactions energy: -138.458
where: short stacking energy: -68.549
Base-Backbone interact. energy: -0.521
local terms energy: -71.180278
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -19.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -173.026553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.026553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.026553 (E_RNA)
where:
Base-Base interactions energy: -115.622
where: short stacking energy: -52.957
Base-Backbone interact. energy: -0.822
local terms energy: -56.582206
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -10.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -160.455337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.455337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.455337 (E_RNA)
where:
Base-Base interactions energy: -99.634
where: short stacking energy: -45.255
Base-Backbone interact. energy: -0.191
local terms energy: -60.630404
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -103.985118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.985118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.985118 (E_RNA)
where:
Base-Base interactions energy: -42.505
where: short stacking energy: -40.067
Base-Backbone interact. energy: -0.877
local terms energy: -60.603427
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -83.174127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.174127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.174127 (E_RNA)
where:
Base-Base interactions energy: -31.674
where: short stacking energy: -18.876
Base-Backbone interact. energy: -0.993
local terms energy: -50.507170
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: 0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -87.307984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.307984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.307984 (E_RNA)
where:
Base-Base interactions energy: -44.443
where: short stacking energy: -32.706
Base-Backbone interact. energy: -0.199
local terms energy: -42.666157
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -4.972
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -81.161826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.161826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.161826 (E_RNA)
where:
Base-Base interactions energy: -32.910
where: short stacking energy: -21.558
Base-Backbone interact. energy: -0.126
local terms energy: -48.125926
where:
bonds (distance) C4'-P energy: -7.410
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -74.670365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.670365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.670365 (E_RNA)
where:
Base-Base interactions energy: -32.575
where: short stacking energy: -18.227
Base-Backbone interact. energy: -0.300
local terms energy: -41.795062
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: 4.915
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: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -203.781548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.781548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.781548 (E_RNA)
where:
Base-Base interactions energy: -124.201
where: short stacking energy: -62.880
Base-Backbone interact. energy: -1.298
local terms energy: -78.282987
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -206.358548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.358548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.358548 (E_RNA)
where:
Base-Base interactions energy: -136.105
where: short stacking energy: -58.500
Base-Backbone interact. energy: 0.293
local terms energy: -70.546200
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -186.879482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.879482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.879482 (E_RNA)
where:
Base-Base interactions energy: -118.889
where: short stacking energy: -54.761
Base-Backbone interact. energy: -0.210
local terms energy: -67.779954
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -156.226747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.226747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.226747 (E_RNA)
where:
Base-Base interactions energy: -95.487
where: short stacking energy: -52.209
Base-Backbone interact. energy: -0.076
local terms energy: -60.663177
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -8.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -164.315349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.315349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.315349 (E_RNA)
where:
Base-Base interactions energy: -105.511
where: short stacking energy: -47.003
Base-Backbone interact. energy: -0.168
local terms energy: -58.636495
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -7.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -104.583199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.583199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.583199 (E_RNA)
where:
Base-Base interactions energy: -49.936
where: short stacking energy: -47.792
Base-Backbone interact. energy: -0.004
local terms energy: -54.642508
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -9.461
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: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -90.776280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.776280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.776280 (E_RNA)
where:
Base-Base interactions energy: -51.288
where: short stacking energy: -22.570
Base-Backbone interact. energy: 1.399
local terms energy: -40.887506
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: 1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -101.299118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.299118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.299118 (E_RNA)
where:
Base-Base interactions energy: -43.304
where: short stacking energy: -37.657
Base-Backbone interact. energy: -1.101
local terms energy: -56.894260
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -3.446
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -84.637612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.637612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.637612 (E_RNA)
where:
Base-Base interactions energy: -34.057
where: short stacking energy: -23.845
Base-Backbone interact. energy: 0.667
local terms energy: -51.247886
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -92.826750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.826750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.826750 (E_RNA)
where:
Base-Base interactions energy: -45.517
where: short stacking energy: -34.500
Base-Backbone interact. energy: -0.152
local terms energy: -47.157565
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -212.307363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.307363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.307363 (E_RNA)
where:
Base-Base interactions energy: -136.198
where: short stacking energy: -68.101
Base-Backbone interact. energy: -0.852
local terms energy: -75.257655
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -19.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -197.291329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.291329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.291329 (E_RNA)
where:
Base-Base interactions energy: -134.242
where: short stacking energy: -56.493
Base-Backbone interact. energy: -0.428
local terms energy: -62.622014
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -185.851037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.851037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.851037 (E_RNA)
where:
Base-Base interactions energy: -124.859
where: short stacking energy: -62.472
Base-Backbone interact. energy: -0.021
local terms energy: -60.971752
where:
bonds (distance) C4'-P energy: -9.178
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -12.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -184.568524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.568524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.568524 (E_RNA)
where:
Base-Base interactions energy: -129.907
where: short stacking energy: -55.857
Base-Backbone interact. energy: -0.146
local terms energy: -54.515425
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -8.464
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: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -161.081423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.081423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.081423 (E_RNA)
where:
Base-Base interactions energy: -102.259
where: short stacking energy: -37.348
Base-Backbone interact. energy: -0.141
local terms energy: -58.681000
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -6.313
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: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -95.696331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.696331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.696331 (E_RNA)
where:
Base-Base interactions energy: -44.030
where: short stacking energy: -35.146
Base-Backbone interact. energy: 0.796
local terms energy: -52.462360
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -96.509180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.509180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.509180 (E_RNA)
where:
Base-Base interactions energy: -37.565
where: short stacking energy: -37.565
Base-Backbone interact. energy: -0.072
local terms energy: -58.872544
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -96.303718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.303718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.303718 (E_RNA)
where:
Base-Base interactions energy: -33.557
where: short stacking energy: -29.940
Base-Backbone interact. energy: -0.678
local terms energy: -62.068979
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -92.262478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.262478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.262478 (E_RNA)
where:
Base-Base interactions energy: -31.284
where: short stacking energy: -31.284
Base-Backbone interact. energy: -0.001
local terms energy: -60.977155
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -5.906
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: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -85.496560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.496560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.496560 (E_RNA)
where:
Base-Base interactions energy: -35.374
where: short stacking energy: -34.251
Base-Backbone interact. energy: -0.092
local terms energy: -50.031022
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -214.685113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.685113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.685113 (E_RNA)
where:
Base-Base interactions energy: -133.006
where: short stacking energy: -68.446
Base-Backbone interact. energy: -1.451
local terms energy: -80.228100
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -186.582413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.582413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.582413 (E_RNA)
where:
Base-Base interactions energy: -119.700
where: short stacking energy: -58.574
Base-Backbone interact. energy: -0.010
local terms energy: -66.873302
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -198.354776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.354776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.354776 (E_RNA)
where:
Base-Base interactions energy: -128.609
where: short stacking energy: -56.394
Base-Backbone interact. energy: -0.024
local terms energy: -69.722044
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -185.720502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.720502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.720502 (E_RNA)
where:
Base-Base interactions energy: -116.598
where: short stacking energy: -55.150
Base-Backbone interact. energy: -0.050
local terms energy: -69.072595
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -165.535464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.535464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.535464 (E_RNA)
where:
Base-Base interactions energy: -100.620
where: short stacking energy: -61.381
Base-Backbone interact. energy: -0.208
local terms energy: -64.708180
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -9.371
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: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -102.025470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.025470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.025470 (E_RNA)
where:
Base-Base interactions energy: -41.163
where: short stacking energy: -41.163
Base-Backbone interact. energy: -0.131
local terms energy: -60.731365
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -90.978275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.978275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.978275 (E_RNA)
where:
Base-Base interactions energy: -36.816
where: short stacking energy: -33.180
Base-Backbone interact. energy: -0.005
local terms energy: -54.157855
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -85.062798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.062798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.062798 (E_RNA)
where:
Base-Base interactions energy: -43.162
where: short stacking energy: -39.509
Base-Backbone interact. energy: -0.023
local terms energy: -41.877833
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -85.275743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.275743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.275743 (E_RNA)
where:
Base-Base interactions energy: -30.234
where: short stacking energy: -30.234
Base-Backbone interact. energy: 0.069
local terms energy: -55.110221
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -3.664
tors. eta vs tors. theta energy: -9.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -88.152007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.152007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.152007 (E_RNA)
where:
Base-Base interactions energy: -39.124
where: short stacking energy: -38.554
Base-Backbone interact. energy: -0.143
local terms energy: -48.884473
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -211.883986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.883986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.883986 (E_RNA)
where:
Base-Base interactions energy: -138.262
where: short stacking energy: -74.252
Base-Backbone interact. energy: -0.423
local terms energy: -73.198287
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -15.394
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: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -194.727104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.727104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.727104 (E_RNA)
where:
Base-Base interactions energy: -127.454
where: short stacking energy: -62.300
Base-Backbone interact. energy: -0.100
local terms energy: -67.172934
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -9.559
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -186.394166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.394166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.394166 (E_RNA)
where:
Base-Base interactions energy: -111.508
where: short stacking energy: -63.509
Base-Backbone interact. energy: -2.691
local terms energy: -72.195164
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -188.022443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.022443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.022443 (E_RNA)
where:
Base-Base interactions energy: -115.517
where: short stacking energy: -69.910
Base-Backbone interact. energy: -0.092
local terms energy: -72.412629
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -15.742
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: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -166.028622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.028622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.028622 (E_RNA)
where:
Base-Base interactions energy: -102.330
where: short stacking energy: -51.397
Base-Backbone interact. energy: -0.099
local terms energy: -63.600078
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -107.217244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.217244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.217244 (E_RNA)
where:
Base-Base interactions energy: -45.309
where: short stacking energy: -45.309
Base-Backbone interact. energy: -0.172
local terms energy: -61.737201
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -87.340986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.340986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.340986 (E_RNA)
where:
Base-Base interactions energy: -30.751
where: short stacking energy: -24.461
Base-Backbone interact. energy: -0.321
local terms energy: -56.268944
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: 1.035
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: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -90.299152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.299152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.299152 (E_RNA)
where:
Base-Base interactions energy: -39.497
where: short stacking energy: -35.658
Base-Backbone interact. energy: -0.485
local terms energy: -50.316679
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -84.823182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.823182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.823182 (E_RNA)
where:
Base-Base interactions energy: -36.055
where: short stacking energy: -18.970
Base-Backbone interact. energy: -0.031
local terms energy: -48.737149
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -3.206
tors. eta vs tors. theta energy: -0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -76.711197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.711197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.711197 (E_RNA)
where:
Base-Base interactions energy: -31.793
where: short stacking energy: -15.826
Base-Backbone interact. energy: 0.684
local terms energy: -45.602490
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -0.945
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: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -210.273341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.273341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.273341 (E_RNA)
where:
Base-Base interactions energy: -137.986
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.134
local terms energy: -72.152983
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -192.702450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.702450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.702450 (E_RNA)
where:
Base-Base interactions energy: -125.528
where: short stacking energy: -62.859
Base-Backbone interact. energy: -0.266
local terms energy: -66.908812
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -13.732
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: 115
Temperature: 1.000000
Total energy: -161.321837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.321837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.321837 (E_RNA)
where:
Base-Base interactions energy: -95.656
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.013
local terms energy: -65.653020
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -164.521921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.521921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.521921 (E_RNA)
where:
Base-Base interactions energy: -101.122
where: short stacking energy: -58.631
Base-Backbone interact. energy: 0.009
local terms energy: -63.408940
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -12.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -161.588968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.588968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.588968 (E_RNA)
where:
Base-Base interactions energy: -95.900
where: short stacking energy: -46.038
Base-Backbone interact. energy: -0.026
local terms energy: -65.663142
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -103.186580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.186580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.186580 (E_RNA)
where:
Base-Base interactions energy: -49.277
where: short stacking energy: -39.633
Base-Backbone interact. energy: 0.070
local terms energy: -53.979268
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -8.365
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: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -97.553691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.553691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.553691 (E_RNA)
where:
Base-Base interactions energy: -47.408
where: short stacking energy: -23.448
Base-Backbone interact. energy: 0.879
local terms energy: -51.025622
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -83.167485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.167485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.167485 (E_RNA)
where:
Base-Base interactions energy: -26.282
where: short stacking energy: -26.282
Base-Backbone interact. energy: -0.263
local terms energy: -56.622264
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: 3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -92.136097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.136097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.136097 (E_RNA)
where:
Base-Base interactions energy: -48.265
where: short stacking energy: -29.981
Base-Backbone interact. energy: 0.454
local terms energy: -44.325138
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -85.325199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.325199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.325199 (E_RNA)
where:
Base-Base interactions energy: -36.350
where: short stacking energy: -33.916
Base-Backbone interact. energy: -0.145
local terms energy: -48.829745
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -202.081871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.081871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.081871 (E_RNA)
where:
Base-Base interactions energy: -131.445
where: short stacking energy: -59.627
Base-Backbone interact. energy: 1.182
local terms energy: -71.819493
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -13.832
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: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -201.384292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.384292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.384292 (E_RNA)
where:
Base-Base interactions energy: -130.151
where: short stacking energy: -67.781
Base-Backbone interact. energy: -0.238
local terms energy: -70.995044
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -171.837043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.837043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.837043 (E_RNA)
where:
Base-Base interactions energy: -100.703
where: short stacking energy: -55.630
Base-Backbone interact. energy: 0.312
local terms energy: -71.445974
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -12.363
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: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -178.478451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.478451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.478451 (E_RNA)
where:
Base-Base interactions energy: -108.209
where: short stacking energy: -56.569
Base-Backbone interact. energy: -0.039
local terms energy: -70.230578
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -10.257
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: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -155.669380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.669380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.669380 (E_RNA)
where:
Base-Base interactions energy: -94.808
where: short stacking energy: -47.957
Base-Backbone interact. energy: 0.414
local terms energy: -61.275263
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -106.970958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.970958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.970958 (E_RNA)
where:
Base-Base interactions energy: -42.663
where: short stacking energy: -35.158
Base-Backbone interact. energy: -0.157
local terms energy: -64.151003
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -10.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -100.620481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.620481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.620481 (E_RNA)
where:
Base-Base interactions energy: -43.158
where: short stacking energy: -37.711
Base-Backbone interact. energy: 0.623
local terms energy: -58.085973
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -85.546191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.546191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.546191 (E_RNA)
where:
Base-Base interactions energy: -29.980
where: short stacking energy: -29.980
Base-Backbone interact. energy: -0.057
local terms energy: -55.509525
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -11.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -75.799182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.799182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.799182 (E_RNA)
where:
Base-Base interactions energy: -20.585
where: short stacking energy: -20.585
Base-Backbone interact. energy: -0.247
local terms energy: -54.967199
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -80.642337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.642337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.642337 (E_RNA)
where:
Base-Base interactions energy: -37.598
where: short stacking energy: -37.598
Base-Backbone interact. energy: -0.145
local terms energy: -42.899149
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -4.175
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -193.023906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.023906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.023906 (E_RNA)
where:
Base-Base interactions energy: -119.457
where: short stacking energy: -63.521
Base-Backbone interact. energy: -0.882
local terms energy: -72.685046
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -200.494994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.494994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.494994 (E_RNA)
where:
Base-Base interactions energy: -123.775
where: short stacking energy: -63.915
Base-Backbone interact. energy: -1.545
local terms energy: -75.174533
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -179.491507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.491507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.491507 (E_RNA)
where:
Base-Base interactions energy: -114.051
where: short stacking energy: -67.277
Base-Backbone interact. energy: -0.008
local terms energy: -65.432192
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -3.876
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -164.509766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.509766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.509766 (E_RNA)
where:
Base-Base interactions energy: -100.252
where: short stacking energy: -46.207
Base-Backbone interact. energy: 0.921
local terms energy: -65.179521
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -8.278
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: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -179.750386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.750386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.750386 (E_RNA)
where:
Base-Base interactions energy: -113.072
where: short stacking energy: -47.902
Base-Backbone interact. energy: -0.103
local terms energy: -66.575815
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -10.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -111.260576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.260576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.260576 (E_RNA)
where:
Base-Base interactions energy: -51.363
where: short stacking energy: -45.293
Base-Backbone interact. energy: -0.366
local terms energy: -59.531523
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -9.722
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: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -112.931439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.931439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.931439 (E_RNA)
where:
Base-Base interactions energy: -60.346
where: short stacking energy: -38.237
Base-Backbone interact. energy: -0.098
local terms energy: -52.487230
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -3.827
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: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -85.274896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.274896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.274896 (E_RNA)
where:
Base-Base interactions energy: -33.709
where: short stacking energy: -21.503
Base-Backbone interact. energy: -0.445
local terms energy: -51.121353
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -93.028343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.028343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.028343 (E_RNA)
where:
Base-Base interactions energy: -32.625
where: short stacking energy: -32.625
Base-Backbone interact. energy: -0.001
local terms energy: -60.402767
where:
bonds (distance) C4'-P energy: -8.286
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -10.195
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: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -79.534969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.534969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.534969 (E_RNA)
where:
Base-Base interactions energy: -28.253
where: short stacking energy: -27.288
Base-Backbone interact. energy: -0.135
local terms energy: -51.147254
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -196.645925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.645925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.645925 (E_RNA)
where:
Base-Base interactions energy: -125.791
where: short stacking energy: -60.883
Base-Backbone interact. energy: -0.349
local terms energy: -70.506651
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -12.232
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: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -200.598669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.598669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.598669 (E_RNA)
where:
Base-Base interactions energy: -134.206
where: short stacking energy: -62.569
Base-Backbone interact. energy: 2.590
local terms energy: -68.982631
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -13.907
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: 118
Temperature: 1.000000
Total energy: -170.484206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.484206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.484206 (E_RNA)
where:
Base-Base interactions energy: -98.646
where: short stacking energy: -59.707
Base-Backbone interact. energy: -0.111
local terms energy: -71.727557
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -18.154
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: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -155.434000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.434000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.434000 (E_RNA)
where:
Base-Base interactions energy: -98.876
where: short stacking energy: -43.942
Base-Backbone interact. energy: -1.561
local terms energy: -54.996900
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -184.164425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.164425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.164425 (E_RNA)
where:
Base-Base interactions energy: -120.434
where: short stacking energy: -50.371
Base-Backbone interact. energy: -0.038
local terms energy: -63.692260
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -102.889378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.889378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.889378 (E_RNA)
where:
Base-Base interactions energy: -41.038
where: short stacking energy: -39.427
Base-Backbone interact. energy: -0.204
local terms energy: -61.646559
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -6.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -87.514654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.514654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.514654 (E_RNA)
where:
Base-Base interactions energy: -36.929
where: short stacking energy: -36.929
Base-Backbone interact. energy: 0.431
local terms energy: -51.017086
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -77.766262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.766262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.766262 (E_RNA)
where:
Base-Base interactions energy: -29.196
where: short stacking energy: -25.499
Base-Backbone interact. energy: -0.158
local terms energy: -48.411812
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -94.776437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.776437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.776437 (E_RNA)
where:
Base-Base interactions energy: -35.425
where: short stacking energy: -31.973
Base-Backbone interact. energy: -0.857
local terms energy: -58.494084
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -79.661061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.661061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.661061 (E_RNA)
where:
Base-Base interactions energy: -27.726
where: short stacking energy: -20.996
Base-Backbone interact. energy: -0.187
local terms energy: -51.747965
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: 2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -199.986777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.986777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.986777 (E_RNA)
where:
Base-Base interactions energy: -129.902
where: short stacking energy: -67.441
Base-Backbone interact. energy: -0.530
local terms energy: -69.554871
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -206.674353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.674353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.674353 (E_RNA)
where:
Base-Base interactions energy: -134.495
where: short stacking energy: -51.894
Base-Backbone interact. energy: -0.109
local terms energy: -72.070489
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -12.863
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: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -175.608010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.608010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.608010 (E_RNA)
where:
Base-Base interactions energy: -110.205
where: short stacking energy: -51.259
Base-Backbone interact. energy: -0.047
local terms energy: -65.356748
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -12.007
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: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -181.219609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.219609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.219609 (E_RNA)
where:
Base-Base interactions energy: -114.541
where: short stacking energy: -53.730
Base-Backbone interact. energy: -0.022
local terms energy: -66.656158
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -14.204
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: 119
Temperature: 1.100000
Total energy: -152.471998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.471998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.471998 (E_RNA)
where:
Base-Base interactions energy: -87.308
where: short stacking energy: -40.917
Base-Backbone interact. energy: -0.018
local terms energy: -65.145864
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -96.162594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.162594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.162594 (E_RNA)
where:
Base-Base interactions energy: -38.284
where: short stacking energy: -38.284
Base-Backbone interact. energy: -0.191
local terms energy: -57.687940
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -5.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -93.234698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.234698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.234698 (E_RNA)
where:
Base-Base interactions energy: -43.401
where: short stacking energy: -35.416
Base-Backbone interact. energy: -0.143
local terms energy: -49.689884
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -84.132108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.132108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.132108 (E_RNA)
where:
Base-Base interactions energy: -32.710
where: short stacking energy: -32.620
Base-Backbone interact. energy: -0.250
local terms energy: -51.172343
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -90.976960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.976960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.976960 (E_RNA)
where:
Base-Base interactions energy: -49.818
where: short stacking energy: -33.639
Base-Backbone interact. energy: 0.104
local terms energy: -41.262633
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: 3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -82.648125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.648125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.648125 (E_RNA)
where:
Base-Base interactions energy: -28.319
where: short stacking energy: -28.319
Base-Backbone interact. energy: -0.139
local terms energy: -54.189731
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -213.955779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.955779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.955779 (E_RNA)
where:
Base-Base interactions energy: -140.140
where: short stacking energy: -65.258
Base-Backbone interact. energy: -0.097
local terms energy: -73.718925
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -198.429788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.429788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.429788 (E_RNA)
where:
Base-Base interactions energy: -123.614
where: short stacking energy: -66.131
Base-Backbone interact. energy: -0.209
local terms energy: -74.606557
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -186.832093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.832093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.832093 (E_RNA)
where:
Base-Base interactions energy: -119.533
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.113
local terms energy: -67.186100
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -160.101054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.101054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.101054 (E_RNA)
where:
Base-Base interactions energy: -89.908
where: short stacking energy: -45.349
Base-Backbone interact. energy: -0.107
local terms energy: -70.085979
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -9.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -168.549632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.549632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.549632 (E_RNA)
where:
Base-Base interactions energy: -108.167
where: short stacking energy: -49.139
Base-Backbone interact. energy: -0.594
local terms energy: -59.788708
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -6.338
flat angles P-C4'-P energy: -6.475
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: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -101.179450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.179450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.179450 (E_RNA)
where:
Base-Base interactions energy: -48.276
where: short stacking energy: -39.040
Base-Backbone interact. energy: -0.086
local terms energy: -52.817181
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -6.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -103.071440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.071440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.071440 (E_RNA)
where:
Base-Base interactions energy: -48.779
where: short stacking energy: -43.412
Base-Backbone interact. energy: -0.234
local terms energy: -54.057801
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -100.473941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.473941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.473941 (E_RNA)
where:
Base-Base interactions energy: -43.306
where: short stacking energy: -39.897
Base-Backbone interact. energy: -0.327
local terms energy: -56.840496
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -6.157
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: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -78.881823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.881823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.881823 (E_RNA)
where:
Base-Base interactions energy: -30.974
where: short stacking energy: -30.064
Base-Backbone interact. energy: -0.026
local terms energy: -47.881154
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -2.289
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -71.242192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.242192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.242192 (E_RNA)
where:
Base-Base interactions energy: -25.203
where: short stacking energy: -23.450
Base-Backbone interact. energy: 1.095
local terms energy: -47.134957
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -219.916292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.916292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.916292 (E_RNA)
where:
Base-Base interactions energy: -146.670
where: short stacking energy: -64.768
Base-Backbone interact. energy: -0.242
local terms energy: -73.003828
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -7.253
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: 2, replica: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -200.082205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.082205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.082205 (E_RNA)
where:
Base-Base interactions energy: -127.644
where: short stacking energy: -68.737
Base-Backbone interact. energy: -0.855
local terms energy: -71.583269
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -18.198
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: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -187.518291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.518291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.518291 (E_RNA)
where:
Base-Base interactions energy: -125.862
where: short stacking energy: -43.976
Base-Backbone interact. energy: -0.180
local terms energy: -61.476246
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -9.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -187.456905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.456905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.456905 (E_RNA)
where:
Base-Base interactions energy: -124.038
where: short stacking energy: -63.990
Base-Backbone interact. energy: -0.005
local terms energy: -63.413946
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -155.088111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.088111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.088111 (E_RNA)
where:
Base-Base interactions energy: -95.438
where: short stacking energy: -49.014
Base-Backbone interact. energy: -0.213
local terms energy: -59.437247
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -95.439045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.439045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.439045 (E_RNA)
where:
Base-Base interactions energy: -43.283
where: short stacking energy: -41.569
Base-Backbone interact. energy: -0.025
local terms energy: -52.131631
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -92.691120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.691120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.691120 (E_RNA)
where:
Base-Base interactions energy: -39.116
where: short stacking energy: -33.408
Base-Backbone interact. energy: -0.104
local terms energy: -53.470856
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -88.823581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.823581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.823581 (E_RNA)
where:
Base-Base interactions energy: -35.218
where: short stacking energy: -30.172
Base-Backbone interact. energy: -0.392
local terms energy: -53.213457
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -2.493
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: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -82.714687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.714687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.714687 (E_RNA)
where:
Base-Base interactions energy: -36.670
where: short stacking energy: -34.219
Base-Backbone interact. energy: 0.458
local terms energy: -46.502185
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -81.669319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.669319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.669319 (E_RNA)
where:
Base-Base interactions energy: -29.383
where: short stacking energy: -28.299
Base-Backbone interact. energy: -0.169
local terms energy: -52.117592
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -207.847383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.847383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.847383 (E_RNA)
where:
Base-Base interactions energy: -131.677
where: short stacking energy: -64.513
Base-Backbone interact. energy: -1.022
local terms energy: -75.148420
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -198.364350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.364350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.364350 (E_RNA)
where:
Base-Base interactions energy: -132.178
where: short stacking energy: -58.091
Base-Backbone interact. energy: -0.010
local terms energy: -66.176406
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -193.697469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.697469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.697469 (E_RNA)
where:
Base-Base interactions energy: -127.426
where: short stacking energy: -52.743
Base-Backbone interact. energy: -0.171
local terms energy: -66.101027
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -166.662615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.662615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.662615 (E_RNA)
where:
Base-Base interactions energy: -98.544
where: short stacking energy: -56.384
Base-Backbone interact. energy: -1.175
local terms energy: -66.943626
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -11.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -170.772191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.772191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.772191 (E_RNA)
where:
Base-Base interactions energy: -100.491
where: short stacking energy: -63.613
Base-Backbone interact. energy: 0.405
local terms energy: -70.686754
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -6.338
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: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -103.766288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.766288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.766288 (E_RNA)
where:
Base-Base interactions energy: -39.076
where: short stacking energy: -36.607
Base-Backbone interact. energy: -0.110
local terms energy: -64.580666
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -12.431
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: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -94.877677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.877677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.877677 (E_RNA)
where:
Base-Base interactions energy: -42.897
where: short stacking energy: -42.222
Base-Backbone interact. energy: -0.001
local terms energy: -51.979912
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -8.501
flat angles P-C4'-P energy: -9.067
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: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -83.155129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.155129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.155129 (E_RNA)
where:
Base-Base interactions energy: -32.377
where: short stacking energy: -32.377
Base-Backbone interact. energy: -0.033
local terms energy: -50.745543
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -78.933446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.933446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.933446 (E_RNA)
where:
Base-Base interactions energy: -33.331
where: short stacking energy: -32.780
Base-Backbone interact. energy: 0.568
local terms energy: -46.170242
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -6.490
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: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -87.807299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.807299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.807299 (E_RNA)
where:
Base-Base interactions energy: -41.512
where: short stacking energy: -27.638
Base-Backbone interact. energy: -0.037
local terms energy: -46.258341
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -8.255
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -198.630201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.630201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.630201 (E_RNA)
where:
Base-Base interactions energy: -119.816
where: short stacking energy: -56.361
Base-Backbone interact. energy: -0.158
local terms energy: -78.656235
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -203.871263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.871263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.871263 (E_RNA)
where:
Base-Base interactions energy: -138.587
where: short stacking energy: -45.996
Base-Backbone interact. energy: -0.357
local terms energy: -64.927134
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -179.433615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.433615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.433615 (E_RNA)
where:
Base-Base interactions energy: -107.279
where: short stacking energy: -53.848
Base-Backbone interact. energy: -0.126
local terms energy: -72.029267
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -180.629898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.629898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.629898 (E_RNA)
where:
Base-Base interactions energy: -118.567
where: short stacking energy: -49.690
Base-Backbone interact. energy: -0.418
local terms energy: -61.645381
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -6.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -152.190677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.190677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.190677 (E_RNA)
where:
Base-Base interactions energy: -90.784
where: short stacking energy: -49.938
Base-Backbone interact. energy: -0.155
local terms energy: -61.252038
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -8.012
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: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -101.679058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.679058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.679058 (E_RNA)
where:
Base-Base interactions energy: -50.731
where: short stacking energy: -36.286
Base-Backbone interact. energy: -1.563
local terms energy: -49.385026
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -101.205915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.205915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.205915 (E_RNA)
where:
Base-Base interactions energy: -47.116
where: short stacking energy: -31.228
Base-Backbone interact. energy: -1.013
local terms energy: -53.077236
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -82.332173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.332173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.332173 (E_RNA)
where:
Base-Base interactions energy: -31.087
where: short stacking energy: -28.772
Base-Backbone interact. energy: -0.245
local terms energy: -51.000741
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -7.913
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: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -90.103132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.103132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.103132 (E_RNA)
where:
Base-Base interactions energy: -56.128
where: short stacking energy: -41.406
Base-Backbone interact. energy: -0.191
local terms energy: -33.784365
where:
bonds (distance) C4'-P energy: -0.621
bonds (distance) P-C4' energy: -10.509
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -6.483
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: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -73.586945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.586945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.586945 (E_RNA)
where:
Base-Base interactions energy: -32.624
where: short stacking energy: -23.942
Base-Backbone interact. energy: 0.184
local terms energy: -41.146326
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: 1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -212.281177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.281177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.281177 (E_RNA)
where:
Base-Base interactions energy: -140.390
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.005
local terms energy: -71.885334
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -193.120989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.120989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.120989 (E_RNA)
where:
Base-Base interactions energy: -124.998
where: short stacking energy: -55.627
Base-Backbone interact. energy: -0.956
local terms energy: -67.167697
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -179.244026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.244026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.244026 (E_RNA)
where:
Base-Base interactions energy: -117.159
where: short stacking energy: -52.737
Base-Backbone interact. energy: -0.010
local terms energy: -62.075516
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -12.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -159.797854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.797854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.797854 (E_RNA)
where:
Base-Base interactions energy: -110.475
where: short stacking energy: -45.786
Base-Backbone interact. energy: -0.073
local terms energy: -49.249480
where:
bonds (distance) C4'-P energy: -2.610
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -160.219002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.219002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.219002 (E_RNA)
where:
Base-Base interactions energy: -90.811
where: short stacking energy: -52.768
Base-Backbone interact. energy: -1.925
local terms energy: -67.482898
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -10.757
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -123.387976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.387976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.387976 (E_RNA)
where:
Base-Base interactions energy: -73.851
where: short stacking energy: -49.311
Base-Backbone interact. energy: -0.306
local terms energy: -49.230930
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -7.419
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -96.881665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.881665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.881665 (E_RNA)
where:
Base-Base interactions energy: -48.081
where: short stacking energy: -37.623
Base-Backbone interact. energy: -0.010
local terms energy: -48.791080
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -6.602
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: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -85.268294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.268294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.268294 (E_RNA)
where:
Base-Base interactions energy: -44.056
where: short stacking energy: -18.941
Base-Backbone interact. energy: -0.029
local terms energy: -41.183460
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: 1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -80.601412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.601412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.601412 (E_RNA)
where:
Base-Base interactions energy: -28.202
where: short stacking energy: -28.202
Base-Backbone interact. energy: -0.019
local terms energy: -52.380934
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -90.531112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.531112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.531112 (E_RNA)
where:
Base-Base interactions energy: -42.627
where: short stacking energy: -22.211
Base-Backbone interact. energy: -0.141
local terms energy: -47.763709
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: 0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -203.305842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.305842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.305842 (E_RNA)
where:
Base-Base interactions energy: -130.296
where: short stacking energy: -64.192
Base-Backbone interact. energy: -0.238
local terms energy: -72.771791
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -185.694044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.694044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.694044 (E_RNA)
where:
Base-Base interactions energy: -113.819
where: short stacking energy: -50.872
Base-Backbone interact. energy: -0.477
local terms energy: -71.398255
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -10.079
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: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -188.943241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.943241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.943241 (E_RNA)
where:
Base-Base interactions energy: -128.616
where: short stacking energy: -53.615
Base-Backbone interact. energy: -0.119
local terms energy: -60.208436
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -185.540801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.540801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.540801 (E_RNA)
where:
Base-Base interactions energy: -123.571
where: short stacking energy: -50.768
Base-Backbone interact. energy: -0.290
local terms energy: -61.679739
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -10.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -162.825123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.825123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.825123 (E_RNA)
where:
Base-Base interactions energy: -102.478
where: short stacking energy: -44.067
Base-Backbone interact. energy: -0.146
local terms energy: -60.200847
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -112.848947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.848947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.848947 (E_RNA)
where:
Base-Base interactions energy: -57.453
where: short stacking energy: -29.958
Base-Backbone interact. energy: -0.132
local terms energy: -55.263817
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -5.845
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: 125
Temperature: 1.200000
Total energy: -102.329111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.329111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.329111 (E_RNA)
where:
Base-Base interactions energy: -37.261
where: short stacking energy: -37.094
Base-Backbone interact. energy: -0.166
local terms energy: -64.902284
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -9.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -89.130977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.130977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.130977 (E_RNA)
where:
Base-Base interactions energy: -33.350
where: short stacking energy: -33.350
Base-Backbone interact. energy: -0.158
local terms energy: -55.622216
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -9.596
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -95.160792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.160792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.160792 (E_RNA)
where:
Base-Base interactions energy: -54.253
where: short stacking energy: -27.404
Base-Backbone interact. energy: 0.358
local terms energy: -41.265519
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: 2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -75.567122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.567122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.567122 (E_RNA)
where:
Base-Base interactions energy: -39.607
where: short stacking energy: -39.607
Base-Backbone interact. energy: 0.438
local terms energy: -36.398818
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -1.921
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -0.678
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: 1, replica: 10
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -212.687553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.687553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.687553 (E_RNA)
where:
Base-Base interactions energy: -135.542
where: short stacking energy: -61.864
Base-Backbone interact. energy: -0.809
local terms energy: -76.336323
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -10.491
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: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -190.922199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.922199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.922199 (E_RNA)
where:
Base-Base interactions energy: -113.200
where: short stacking energy: -65.414
Base-Backbone interact. energy: -0.547
local terms energy: -77.175585
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -20.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -204.823002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.823002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.823002 (E_RNA)
where:
Base-Base interactions energy: -131.120
where: short stacking energy: -58.428
Base-Backbone interact. energy: -0.068
local terms energy: -73.635174
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -16.479
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: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -181.522078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.522078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.522078 (E_RNA)
where:
Base-Base interactions energy: -114.798
where: short stacking energy: -52.688
Base-Backbone interact. energy: -0.566
local terms energy: -66.158095
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -9.150
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: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -165.319566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.319566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.319566 (E_RNA)
where:
Base-Base interactions energy: -100.853
where: short stacking energy: -63.779
Base-Backbone interact. energy: -0.023
local terms energy: -64.444043
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -96.664839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.664839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.664839 (E_RNA)
where:
Base-Base interactions energy: -40.060
where: short stacking energy: -32.357
Base-Backbone interact. energy: -0.007
local terms energy: -56.597643
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -8.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -100.901940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.901940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.901940 (E_RNA)
where:
Base-Base interactions energy: -47.749
where: short stacking energy: -38.795
Base-Backbone interact. energy: -0.106
local terms energy: -53.046625
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -4.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -91.334451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.334451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.334451 (E_RNA)
where:
Base-Base interactions energy: -32.351
where: short stacking energy: -32.132
Base-Backbone interact. energy: -0.480
local terms energy: -58.502641
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -78.573390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.573390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.573390 (E_RNA)
where:
Base-Base interactions energy: -31.492
where: short stacking energy: -25.276
Base-Backbone interact. energy: -0.287
local terms energy: -46.793800
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -83.988961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.988961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.988961 (E_RNA)
where:
Base-Base interactions energy: -35.525
where: short stacking energy: -35.319
Base-Backbone interact. energy: -0.104
local terms energy: -48.359362
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -209.994140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.994140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.994140 (E_RNA)
where:
Base-Base interactions energy: -130.857
where: short stacking energy: -59.756
Base-Backbone interact. energy: -2.894
local terms energy: -76.243809
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -190.835227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.835227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.835227 (E_RNA)
where:
Base-Base interactions energy: -129.952
where: short stacking energy: -56.692
Base-Backbone interact. energy: -0.307
local terms energy: -60.576212
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -7.964
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -11.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -190.359826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.359826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.359826 (E_RNA)
where:
Base-Base interactions energy: -122.474
where: short stacking energy: -52.838
Base-Backbone interact. energy: -0.014
local terms energy: -67.871966
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -182.066389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.066389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.066389 (E_RNA)
where:
Base-Base interactions energy: -121.418
where: short stacking energy: -60.276
Base-Backbone interact. energy: 0.511
local terms energy: -61.159401
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -158.329714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.329714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.329714 (E_RNA)
where:
Base-Base interactions energy: -98.634
where: short stacking energy: -60.572
Base-Backbone interact. energy: -0.003
local terms energy: -59.692632
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -14.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -109.024181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.024181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.024181 (E_RNA)
where:
Base-Base interactions energy: -64.076
where: short stacking energy: -39.222
Base-Backbone interact. energy: -0.049
local terms energy: -44.899036
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -87.377481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.377481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.377481 (E_RNA)
where:
Base-Base interactions energy: -45.047
where: short stacking energy: -35.847
Base-Backbone interact. energy: -0.212
local terms energy: -42.118376
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -101.114838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.114838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.114838 (E_RNA)
where:
Base-Base interactions energy: -34.813
where: short stacking energy: -30.658
Base-Backbone interact. energy: -0.003
local terms energy: -66.298579
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -9.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -82.013507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.013507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.013507 (E_RNA)
where:
Base-Base interactions energy: -26.839
where: short stacking energy: -26.287
Base-Backbone interact. energy: -0.272
local terms energy: -54.903438
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -83.180752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.180752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.180752 (E_RNA)
where:
Base-Base interactions energy: -32.385
where: short stacking energy: -31.150
Base-Backbone interact. energy: -0.745
local terms energy: -50.050394
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -204.582284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.582284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.582284 (E_RNA)
where:
Base-Base interactions energy: -129.992
where: short stacking energy: -63.551
Base-Backbone interact. energy: -0.179
local terms energy: -74.412027
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -18.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -194.995089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.995089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.995089 (E_RNA)
where:
Base-Base interactions energy: -129.018
where: short stacking energy: -56.390
Base-Backbone interact. energy: 1.234
local terms energy: -67.210374
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -207.533738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.533738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.533738 (E_RNA)
where:
Base-Base interactions energy: -137.835
where: short stacking energy: -63.402
Base-Backbone interact. energy: -0.269
local terms energy: -69.430188
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -17.271
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: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -163.216660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.216660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.216660 (E_RNA)
where:
Base-Base interactions energy: -97.415
where: short stacking energy: -55.077
Base-Backbone interact. energy: 0.409
local terms energy: -66.210503
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -8.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -165.252376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.252376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.252376 (E_RNA)
where:
Base-Base interactions energy: -103.957
where: short stacking energy: -50.032
Base-Backbone interact. energy: -0.171
local terms energy: -61.124369
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -98.385763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.385763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.385763 (E_RNA)
where:
Base-Base interactions energy: -51.855
where: short stacking energy: -33.279
Base-Backbone interact. energy: -0.121
local terms energy: -46.408824
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -92.849600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.849600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.849600 (E_RNA)
where:
Base-Base interactions energy: -35.780
where: short stacking energy: -35.313
Base-Backbone interact. energy: -0.103
local terms energy: -56.966574
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -4.483
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: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -83.709666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.709666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.709666 (E_RNA)
where:
Base-Base interactions energy: -34.967
where: short stacking energy: -29.263
Base-Backbone interact. energy: -0.168
local terms energy: -48.574928
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -96.414347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.414347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.414347 (E_RNA)
where:
Base-Base interactions energy: -46.364
where: short stacking energy: -31.767
Base-Backbone interact. energy: -0.028
local terms energy: -50.021724
where:
bonds (distance) C4'-P energy: -7.250
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -73.583744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.583744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.583744 (E_RNA)
where:
Base-Base interactions energy: -28.296
where: short stacking energy: -26.117
Base-Backbone interact. energy: -0.173
local terms energy: -45.114748
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -8.692
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: 1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -209.738717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.738717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.738717 (E_RNA)
where:
Base-Base interactions energy: -128.699
where: short stacking energy: -63.212
Base-Backbone interact. energy: -1.928
local terms energy: -79.111571
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -202.760811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.760811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.760811 (E_RNA)
where:
Base-Base interactions energy: -137.370
where: short stacking energy: -58.166
Base-Backbone interact. energy: -0.729
local terms energy: -64.661442
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -11.327
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: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -183.657433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.657433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.657433 (E_RNA)
where:
Base-Base interactions energy: -118.744
where: short stacking energy: -57.544
Base-Backbone interact. energy: -0.031
local terms energy: -64.882105
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -11.720
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: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -172.565419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.565419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.565419 (E_RNA)
where:
Base-Base interactions energy: -106.314
where: short stacking energy: -52.217
Base-Backbone interact. energy: -0.040
local terms energy: -66.210918
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -12.374
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: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -168.175815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.175815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.175815 (E_RNA)
where:
Base-Base interactions energy: -96.647
where: short stacking energy: -52.813
Base-Backbone interact. energy: -0.153
local terms energy: -71.375304
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -12.166
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: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -96.202261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.202261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.202261 (E_RNA)
where:
Base-Base interactions energy: -41.099
where: short stacking energy: -41.099
Base-Backbone interact. energy: -0.482
local terms energy: -54.621398
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -7.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -98.596812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.596812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.596812 (E_RNA)
where:
Base-Base interactions energy: -42.017
where: short stacking energy: -42.017
Base-Backbone interact. energy: -0.019
local terms energy: -56.561742
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -109.651798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.651798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.651798 (E_RNA)
where:
Base-Base interactions energy: -56.169
where: short stacking energy: -37.953
Base-Backbone interact. energy: 1.475
local terms energy: -54.957625
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -99.975899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.975899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.975899 (E_RNA)
where:
Base-Base interactions energy: -41.812
where: short stacking energy: -20.412
Base-Backbone interact. energy: -0.076
local terms energy: -58.088449
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: 0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -79.766144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.766144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.766144 (E_RNA)
where:
Base-Base interactions energy: -26.125
where: short stacking energy: -19.748
Base-Backbone interact. energy: -0.254
local terms energy: -53.387522
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -204.424228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.424228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.424228 (E_RNA)
where:
Base-Base interactions energy: -138.777
where: short stacking energy: -62.594
Base-Backbone interact. energy: -0.223
local terms energy: -65.424758
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -9.076
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -12.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -202.147318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.147318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.147318 (E_RNA)
where:
Base-Base interactions energy: -125.115
where: short stacking energy: -62.130
Base-Backbone interact. energy: -0.233
local terms energy: -76.799300
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -187.403694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.403694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.403694 (E_RNA)
where:
Base-Base interactions energy: -118.080
where: short stacking energy: -49.644
Base-Backbone interact. energy: -0.736
local terms energy: -68.587137
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -12.375
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: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -179.213630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.213630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.213630 (E_RNA)
where:
Base-Base interactions energy: -116.315
where: short stacking energy: -44.922
Base-Backbone interact. energy: -0.770
local terms energy: -62.128258
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -168.506638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.506638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.506638 (E_RNA)
where:
Base-Base interactions energy: -100.881
where: short stacking energy: -64.380
Base-Backbone interact. energy: 0.079
local terms energy: -67.704360
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -10.504
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: 6, replica: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -102.271741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.271741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.271741 (E_RNA)
where:
Base-Base interactions energy: -39.676
where: short stacking energy: -39.676
Base-Backbone interact. energy: 0.330
local terms energy: -62.925705
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -89.103865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.103865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.103865 (E_RNA)
where:
Base-Base interactions energy: -34.920
where: short stacking energy: -23.385
Base-Backbone interact. energy: -0.817
local terms energy: -53.367461
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -4.738
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: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -82.810830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.810830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.810830 (E_RNA)
where:
Base-Base interactions energy: -34.557
where: short stacking energy: -34.557
Base-Backbone interact. energy: -0.059
local terms energy: -48.195485
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -3.625
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: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -78.540831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.540831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.540831 (E_RNA)
where:
Base-Base interactions energy: -33.546
where: short stacking energy: -30.070
Base-Backbone interact. energy: -0.178
local terms energy: -44.816859
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -5.534
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -77.271599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.271599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.271599 (E_RNA)
where:
Base-Base interactions energy: -23.330
where: short stacking energy: -19.083
Base-Backbone interact. energy: -0.319
local terms energy: -53.623247
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -212.502505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.502505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.502505 (E_RNA)
where:
Base-Base interactions energy: -144.137
where: short stacking energy: -60.144
Base-Backbone interact. energy: -0.018
local terms energy: -68.347711
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -207.912866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.912866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.912866 (E_RNA)
where:
Base-Base interactions energy: -140.353
where: short stacking energy: -60.149
Base-Backbone interact. energy: -0.065
local terms energy: -67.493946
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -198.237971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.237971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.237971 (E_RNA)
where:
Base-Base interactions energy: -134.063
where: short stacking energy: -65.993
Base-Backbone interact. energy: -0.702
local terms energy: -63.473340
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -9.604
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -16.297
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: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -158.701740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.701740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.701740 (E_RNA)
where:
Base-Base interactions energy: -94.907
where: short stacking energy: -53.147
Base-Backbone interact. energy: 0.503
local terms energy: -64.297166
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -10.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -174.785370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.785370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.785370 (E_RNA)
where:
Base-Base interactions energy: -123.861
where: short stacking energy: -49.401
Base-Backbone interact. energy: 1.314
local terms energy: -52.237937
where:
bonds (distance) C4'-P energy: -4.582
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -100.440156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.440156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.440156 (E_RNA)
where:
Base-Base interactions energy: -42.159
where: short stacking energy: -39.580
Base-Backbone interact. energy: -0.024
local terms energy: -58.257064
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -5.704
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: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -95.306558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.306558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.306558 (E_RNA)
where:
Base-Base interactions energy: -38.846
where: short stacking energy: -35.892
Base-Backbone interact. energy: -0.098
local terms energy: -56.362049
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -85.565819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.565819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.565819 (E_RNA)
where:
Base-Base interactions energy: -30.087
where: short stacking energy: -29.266
Base-Backbone interact. energy: -0.198
local terms energy: -55.281239
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -85.678261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.678261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.678261 (E_RNA)
where:
Base-Base interactions energy: -41.700
where: short stacking energy: -26.493
Base-Backbone interact. energy: 1.054
local terms energy: -45.031750
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -3.347
tors. eta vs tors. theta energy: -0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -76.155117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.155117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.155117 (E_RNA)
where:
Base-Base interactions energy: -30.890
where: short stacking energy: -30.990
Base-Backbone interact. energy: -0.082
local terms energy: -45.182665
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -198.083338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.083338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.083338 (E_RNA)
where:
Base-Base interactions energy: -123.865
where: short stacking energy: -62.455
Base-Backbone interact. energy: -1.326
local terms energy: -72.891723
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -14.500
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: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -206.066929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.066929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.066929 (E_RNA)
where:
Base-Base interactions energy: -136.788
where: short stacking energy: -58.848
Base-Backbone interact. energy: -0.127
local terms energy: -69.152058
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -12.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -203.609621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.609621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.609621 (E_RNA)
where:
Base-Base interactions energy: -121.421
where: short stacking energy: -62.209
Base-Backbone interact. energy: -2.757
local terms energy: -79.430960
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -167.229204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.229204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.229204 (E_RNA)
where:
Base-Base interactions energy: -93.379
where: short stacking energy: -51.206
Base-Backbone interact. energy: 0.174
local terms energy: -74.024050
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -13.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -179.416604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.416604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.416604 (E_RNA)
where:
Base-Base interactions energy: -108.698
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.002
local terms energy: -70.717395
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -103.219087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.219087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.219087 (E_RNA)
where:
Base-Base interactions energy: -41.151
where: short stacking energy: -41.151
Base-Backbone interact. energy: -0.711
local terms energy: -61.357432
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -104.892127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.892127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.892127 (E_RNA)
where:
Base-Base interactions energy: -44.677
where: short stacking energy: -39.722
Base-Backbone interact. energy: -0.574
local terms energy: -59.641818
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -88.731405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.731405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.731405 (E_RNA)
where:
Base-Base interactions energy: -42.886
where: short stacking energy: -38.312
Base-Backbone interact. energy: -0.189
local terms energy: -45.656438
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -9.221
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -3.771
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -80.889480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.889480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.889480 (E_RNA)
where:
Base-Base interactions energy: -36.061
where: short stacking energy: -29.898
Base-Backbone interact. energy: -0.152
local terms energy: -44.675879
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -84.078424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.078424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.078424 (E_RNA)
where:
Base-Base interactions energy: -35.766
where: short stacking energy: -24.167
Base-Backbone interact. energy: -0.133
local terms energy: -48.179480
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -11.218
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: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -201.895025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.895025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.895025 (E_RNA)
where:
Base-Base interactions energy: -128.865
where: short stacking energy: -70.734
Base-Backbone interact. energy: -0.001
local terms energy: -73.029143
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -200.616346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.616346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.616346 (E_RNA)
where:
Base-Base interactions energy: -130.546
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.719
local terms energy: -69.351468
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -8.996
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: 3, replica: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -203.887420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.887420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.887420 (E_RNA)
where:
Base-Base interactions energy: -130.456
where: short stacking energy: -68.393
Base-Backbone interact. energy: 2.670
local terms energy: -76.101171
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -17.960
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: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -175.947763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.947763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.947763 (E_RNA)
where:
Base-Base interactions energy: -111.819
where: short stacking energy: -55.998
Base-Backbone interact. energy: -0.576
local terms energy: -63.552667
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -11.031
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: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -155.072990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.072990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.072990 (E_RNA)
where:
Base-Base interactions energy: -94.367
where: short stacking energy: -52.271
Base-Backbone interact. energy: -0.071
local terms energy: -60.634912
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -111.371045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.371045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.371045 (E_RNA)
where:
Base-Base interactions energy: -55.601
where: short stacking energy: -55.601
Base-Backbone interact. energy: -0.415
local terms energy: -55.355553
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -11.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -86.993667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.993667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.993667 (E_RNA)
where:
Base-Base interactions energy: -33.673
where: short stacking energy: -32.904
Base-Backbone interact. energy: -0.474
local terms energy: -52.846675
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -85.566991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.566991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.566991 (E_RNA)
where:
Base-Base interactions energy: -46.147
where: short stacking energy: -35.184
Base-Backbone interact. energy: -0.481
local terms energy: -38.939612
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -94.164989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.164989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.164989 (E_RNA)
where:
Base-Base interactions energy: -50.036
where: short stacking energy: -29.361
Base-Backbone interact. energy: -0.132
local terms energy: -43.997240
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: 1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -70.819598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.819598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.819598 (E_RNA)
where:
Base-Base interactions energy: -24.700
where: short stacking energy: -24.700
Base-Backbone interact. energy: -0.150
local terms energy: -45.969928
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -213.904509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.904509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.904509 (E_RNA)
where:
Base-Base interactions energy: -136.079
where: short stacking energy: -62.881
Base-Backbone interact. energy: -0.131
local terms energy: -77.694618
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -9.466
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: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -194.460989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.460989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.460989 (E_RNA)
where:
Base-Base interactions energy: -118.602
where: short stacking energy: -58.076
Base-Backbone interact. energy: -0.526
local terms energy: -75.333453
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -12.922
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: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -194.517845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.517845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.517845 (E_RNA)
where:
Base-Base interactions energy: -116.049
where: short stacking energy: -71.941
Base-Backbone interact. energy: -0.272
local terms energy: -78.196794
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -22.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -187.987718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.987718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.987718 (E_RNA)
where:
Base-Base interactions energy: -113.504
where: short stacking energy: -49.316
Base-Backbone interact. energy: -0.237
local terms energy: -74.246624
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -18.111
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: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -111.480269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.480269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.480269 (E_RNA)
where:
Base-Base interactions energy: -48.733
where: short stacking energy: -47.485
Base-Backbone interact. energy: -0.044
local terms energy: -62.703469
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -8.172
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: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -152.367744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.367744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.367744 (E_RNA)
where:
Base-Base interactions energy: -97.175
where: short stacking energy: -47.784
Base-Backbone interact. energy: -0.068
local terms energy: -55.124561
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -9.301
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: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -100.250017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.250017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.250017 (E_RNA)
where:
Base-Base interactions energy: -53.956
where: short stacking energy: -48.505
Base-Backbone interact. energy: -0.235
local terms energy: -46.058558
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -90.157270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.157270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.157270 (E_RNA)
where:
Base-Base interactions energy: -34.302
where: short stacking energy: -31.467
Base-Backbone interact. energy: -0.153
local terms energy: -55.702065
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -79.483224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.483224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.483224 (E_RNA)
where:
Base-Base interactions energy: -34.875
where: short stacking energy: -22.176
Base-Backbone interact. energy: -0.334
local terms energy: -44.274365
where:
bonds (distance) C4'-P energy: -9.500
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -68.103762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.103762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.103762 (E_RNA)
where:
Base-Base interactions energy: -18.847
where: short stacking energy: -16.663
Base-Backbone interact. energy: 0.923
local terms energy: -50.179913
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: 2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -206.897118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.897118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.897118 (E_RNA)
where:
Base-Base interactions energy: -134.103
where: short stacking energy: -57.611
Base-Backbone interact. energy: -0.736
local terms energy: -72.057398
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -196.176850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.176850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.176850 (E_RNA)
where:
Base-Base interactions energy: -113.434
where: short stacking energy: -58.798
Base-Backbone interact. energy: -0.853
local terms energy: -81.890282
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -191.819346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.819346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.819346 (E_RNA)
where:
Base-Base interactions energy: -129.026
where: short stacking energy: -42.733
Base-Backbone interact. energy: -0.564
local terms energy: -62.229363
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -185.800779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.800779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.800779 (E_RNA)
where:
Base-Base interactions energy: -117.508
where: short stacking energy: -54.092
Base-Backbone interact. energy: -1.112
local terms energy: -67.181057
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -99.498866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.498866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.498866 (E_RNA)
where:
Base-Base interactions energy: -41.893
where: short stacking energy: -38.752
Base-Backbone interact. energy: 0.004
local terms energy: -57.610024
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -170.061496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.061496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.061496 (E_RNA)
where:
Base-Base interactions energy: -104.292
where: short stacking energy: -64.383
Base-Backbone interact. energy: -0.047
local terms energy: -65.722990
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -8.558
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: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -133.744063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.744063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.744063 (E_RNA)
where:
Base-Base interactions energy: -81.809
where: short stacking energy: -47.876
Base-Backbone interact. energy: -0.118
local terms energy: -51.816741
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -82.752114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.752114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.752114 (E_RNA)
where:
Base-Base interactions energy: -33.638
where: short stacking energy: -33.638
Base-Backbone interact. energy: -0.054
local terms energy: -49.059978
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -81.646092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.646092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.646092 (E_RNA)
where:
Base-Base interactions energy: -32.458
where: short stacking energy: -29.506
Base-Backbone interact. energy: -0.196
local terms energy: -48.991909
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -9.804
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -76.298904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.298904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.298904 (E_RNA)
where:
Base-Base interactions energy: -22.637
where: short stacking energy: -22.637
Base-Backbone interact. energy: -0.001
local terms energy: -53.661385
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: 1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -207.992767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.992767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.992767 (E_RNA)
where:
Base-Base interactions energy: -133.300
where: short stacking energy: -73.766
Base-Backbone interact. energy: -0.220
local terms energy: -74.473395
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -8.788
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: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -199.254764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.254764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.254764 (E_RNA)
where:
Base-Base interactions energy: -131.462
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.006
local terms energy: -67.786496
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -14.262
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: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -191.529623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.529623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.529623 (E_RNA)
where:
Base-Base interactions energy: -129.817
where: short stacking energy: -64.880
Base-Backbone interact. energy: -0.119
local terms energy: -61.593550
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -14.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -179.621930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.621930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.621930 (E_RNA)
where:
Base-Base interactions energy: -110.784
where: short stacking energy: -61.675
Base-Backbone interact. energy: 1.994
local terms energy: -70.832619
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -12.998
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: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -163.174647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.174647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.174647 (E_RNA)
where:
Base-Base interactions energy: -101.350
where: short stacking energy: -54.062
Base-Backbone interact. energy: -1.976
local terms energy: -59.848394
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -107.191295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.191295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.191295 (E_RNA)
where:
Base-Base interactions energy: -53.341
where: short stacking energy: -38.780
Base-Backbone interact. energy: -0.682
local terms energy: -53.167613
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -102.653660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.653660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.653660 (E_RNA)
where:
Base-Base interactions energy: -43.785
where: short stacking energy: -35.764
Base-Backbone interact. energy: -0.016
local terms energy: -58.852508
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -10.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -133.870999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.870999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.870999 (E_RNA)
where:
Base-Base interactions energy: -77.788
where: short stacking energy: -46.082
Base-Backbone interact. energy: 2.099
local terms energy: -58.182313
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -90.563612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.563612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.563612 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -30.352
Base-Backbone interact. energy: -0.695
local terms energy: -57.524794
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -6.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -77.196941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.196941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.196941 (E_RNA)
where:
Base-Base interactions energy: -28.741
where: short stacking energy: -22.396
Base-Backbone interact. energy: 0.398
local terms energy: -48.853961
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -0.331
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: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -200.465418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.465418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.465418 (E_RNA)
where:
Base-Base interactions energy: -128.238
where: short stacking energy: -57.904
Base-Backbone interact. energy: 0.249
local terms energy: -72.475955
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -186.862265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.862265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.862265 (E_RNA)
where:
Base-Base interactions energy: -119.977
where: short stacking energy: -62.978
Base-Backbone interact. energy: -0.130
local terms energy: -66.755956
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -198.572247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.572247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.572247 (E_RNA)
where:
Base-Base interactions energy: -131.519
where: short stacking energy: -54.703
Base-Backbone interact. energy: -0.010
local terms energy: -67.042820
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -181.446641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.446641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.446641 (E_RNA)
where:
Base-Base interactions energy: -112.256
where: short stacking energy: -58.500
Base-Backbone interact. energy: -0.088
local terms energy: -69.102903
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -11.534
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: 5, replica: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -172.419547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.419547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.419547 (E_RNA)
where:
Base-Base interactions energy: -102.964
where: short stacking energy: -47.721
Base-Backbone interact. energy: -0.007
local terms energy: -69.448595
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -98.092624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.092624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.092624 (E_RNA)
where:
Base-Base interactions energy: -40.326
where: short stacking energy: -35.845
Base-Backbone interact. energy: -0.951
local terms energy: -56.816286
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -99.274330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.274330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.274330 (E_RNA)
where:
Base-Base interactions energy: -47.585
where: short stacking energy: -25.517
Base-Backbone interact. energy: 0.511
local terms energy: -52.199916
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -0.641
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -133.040016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.040016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.040016 (E_RNA)
where:
Base-Base interactions energy: -81.079
where: short stacking energy: -46.264
Base-Backbone interact. energy: 0.312
local terms energy: -52.273565
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -89.899272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.899272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.899272 (E_RNA)
where:
Base-Base interactions energy: -40.935
where: short stacking energy: -26.848
Base-Backbone interact. energy: -0.091
local terms energy: -48.873451
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -91.206439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.206439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.206439 (E_RNA)
where:
Base-Base interactions energy: -45.816
where: short stacking energy: -32.350
Base-Backbone interact. energy: -0.012
local terms energy: -45.378202
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -199.890646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.890646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.890646 (E_RNA)
where:
Base-Base interactions energy: -137.627
where: short stacking energy: -64.994
Base-Backbone interact. energy: 0.065
local terms energy: -62.328391
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -189.751694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.751694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.751694 (E_RNA)
where:
Base-Base interactions energy: -125.079
where: short stacking energy: -58.701
Base-Backbone interact. energy: 1.124
local terms energy: -65.797462
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -177.342914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.342914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.342914 (E_RNA)
where:
Base-Base interactions energy: -104.822
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.577
local terms energy: -71.943926
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -15.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -202.099438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.099438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.099438 (E_RNA)
where:
Base-Base interactions energy: -126.893
where: short stacking energy: -51.812
Base-Backbone interact. energy: -0.001
local terms energy: -75.205408
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -164.812668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.812668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.812668 (E_RNA)
where:
Base-Base interactions energy: -99.331
where: short stacking energy: -49.036
Base-Backbone interact. energy: -0.017
local terms energy: -65.464849
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -10.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -103.455053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.455053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.455053 (E_RNA)
where:
Base-Base interactions energy: -49.873
where: short stacking energy: -31.828
Base-Backbone interact. energy: -0.295
local terms energy: -53.287003
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -99.776074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.776074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.776074 (E_RNA)
where:
Base-Base interactions energy: -43.916
where: short stacking energy: -31.928
Base-Backbone interact. energy: -0.158
local terms energy: -55.701571
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -87.631946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.631946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.631946 (E_RNA)
where:
Base-Base interactions energy: -37.706
where: short stacking energy: -22.048
Base-Backbone interact. energy: 0.622
local terms energy: -50.547711
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -90.804681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.804681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.804681 (E_RNA)
where:
Base-Base interactions energy: -37.938
where: short stacking energy: -37.938
Base-Backbone interact. energy: -0.059
local terms energy: -52.806928
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -6.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -87.730515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.730515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.730515 (E_RNA)
where:
Base-Base interactions energy: -33.600
where: short stacking energy: -31.803
Base-Backbone interact. energy: -0.132
local terms energy: -53.998711
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -0.379
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: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -200.237126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.237126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.237126 (E_RNA)
where:
Base-Base interactions energy: -126.269
where: short stacking energy: -58.644
Base-Backbone interact. energy: -0.037
local terms energy: -73.931963
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -12.872
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: 139
Temperature: 0.950000
Total energy: -203.662700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.662700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.662700 (E_RNA)
where:
Base-Base interactions energy: -132.002
where: short stacking energy: -56.272
Base-Backbone interact. energy: -0.038
local terms energy: -71.622544
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -195.927467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.927467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.927467 (E_RNA)
where:
Base-Base interactions energy: -129.933
where: short stacking energy: -65.389
Base-Backbone interact. energy: -0.411
local terms energy: -65.583414
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -16.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -187.787153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.787153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.787153 (E_RNA)
where:
Base-Base interactions energy: -118.745
where: short stacking energy: -62.323
Base-Backbone interact. energy: -0.003
local terms energy: -69.038898
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -157.344789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.344789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.344789 (E_RNA)
where:
Base-Base interactions energy: -97.505
where: short stacking energy: -50.961
Base-Backbone interact. energy: -0.308
local terms energy: -59.531360
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -11.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -109.402283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.402283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.402283 (E_RNA)
where:
Base-Base interactions energy: -45.202
where: short stacking energy: -43.483
Base-Backbone interact. energy: -0.460
local terms energy: -63.740585
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -10.406
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: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -95.496957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.496957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.496957 (E_RNA)
where:
Base-Base interactions energy: -46.321
where: short stacking energy: -37.762
Base-Backbone interact. energy: -0.020
local terms energy: -49.155952
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -2.596
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: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -86.715757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.715757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.715757 (E_RNA)
where:
Base-Base interactions energy: -35.400
where: short stacking energy: -34.085
Base-Backbone interact. energy: -1.023
local terms energy: -50.293429
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -88.988399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.988399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.988399 (E_RNA)
where:
Base-Base interactions energy: -34.218
where: short stacking energy: -33.189
Base-Backbone interact. energy: -0.291
local terms energy: -54.479668
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -78.346193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.346193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.346193 (E_RNA)
where:
Base-Base interactions energy: -28.095
where: short stacking energy: -27.967
Base-Backbone interact. energy: -0.602
local terms energy: -49.649542
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -200.882031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.882031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.882031 (E_RNA)
where:
Base-Base interactions energy: -132.011
where: short stacking energy: -68.946
Base-Backbone interact. energy: -0.317
local terms energy: -68.553443
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -201.533393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.533393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.533393 (E_RNA)
where:
Base-Base interactions energy: -136.103
where: short stacking energy: -57.984
Base-Backbone interact. energy: -0.289
local terms energy: -65.141603
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -9.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -198.132911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.132911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.132911 (E_RNA)
where:
Base-Base interactions energy: -128.012
where: short stacking energy: -67.831
Base-Backbone interact. energy: -1.743
local terms energy: -68.378517
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -162.617168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.617168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.617168 (E_RNA)
where:
Base-Base interactions energy: -105.762
where: short stacking energy: -50.721
Base-Backbone interact. energy: -0.078
local terms energy: -56.777477
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -174.412053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.412053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.412053 (E_RNA)
where:
Base-Base interactions energy: -125.169
where: short stacking energy: -45.937
Base-Backbone interact. energy: 0.005
local terms energy: -49.248409
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -3.607
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: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -127.941482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.941482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.941482 (E_RNA)
where:
Base-Base interactions energy: -79.236
where: short stacking energy: -38.358
Base-Backbone interact. energy: -0.673
local terms energy: -48.032691
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -7.112
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -92.171634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.171634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.171634 (E_RNA)
where:
Base-Base interactions energy: -36.210
where: short stacking energy: -36.210
Base-Backbone interact. energy: 0.046
local terms energy: -56.007831
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -93.257012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.257012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.257012 (E_RNA)
where:
Base-Base interactions energy: -43.441
where: short stacking energy: -30.701
Base-Backbone interact. energy: -0.813
local terms energy: -49.003089
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -2.099
tors. eta vs tors. theta energy: -6.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -97.032998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.032998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.032998 (E_RNA)
where:
Base-Base interactions energy: -43.827
where: short stacking energy: -30.984
Base-Backbone interact. energy: -0.308
local terms energy: -52.897156
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -78.056591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.056591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.056591 (E_RNA)
where:
Base-Base interactions energy: -31.761
where: short stacking energy: -31.593
Base-Backbone interact. energy: 0.143
local terms energy: -46.438324
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -5.208
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -198.348453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.348453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.348453 (E_RNA)
where:
Base-Base interactions energy: -136.887
where: short stacking energy: -54.014
Base-Backbone interact. energy: -0.020
local terms energy: -61.441333
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -209.074851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.074851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.074851 (E_RNA)
where:
Base-Base interactions energy: -138.480
where: short stacking energy: -60.127
Base-Backbone interact. energy: -0.269
local terms energy: -70.326532
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -157.678509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.678509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.678509 (E_RNA)
where:
Base-Base interactions energy: -85.365
where: short stacking energy: -47.171
Base-Backbone interact. energy: -0.666
local terms energy: -71.647873
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -189.056547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.056547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.056547 (E_RNA)
where:
Base-Base interactions energy: -116.406
where: short stacking energy: -53.322
Base-Backbone interact. energy: -0.001
local terms energy: -72.649388
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -15.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -165.149518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.149518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.149518 (E_RNA)
where:
Base-Base interactions energy: -103.114
where: short stacking energy: -45.799
Base-Backbone interact. energy: -0.480
local terms energy: -61.555643
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -11.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -135.078308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.078308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.078308 (E_RNA)
where:
Base-Base interactions energy: -83.935
where: short stacking energy: -44.569
Base-Backbone interact. energy: 3.162
local terms energy: -54.304817
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -89.137847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.137847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.137847 (E_RNA)
where:
Base-Base interactions energy: -37.399
where: short stacking energy: -37.399
Base-Backbone interact. energy: -0.026
local terms energy: -51.713700
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -6.943
flat angles P-C4'-P energy: -8.858
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: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -107.152383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.152383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.152383 (E_RNA)
where:
Base-Base interactions energy: -52.798
where: short stacking energy: -38.315
Base-Backbone interact. energy: -0.266
local terms energy: -54.088023
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -84.026543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.026543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.026543 (E_RNA)
where:
Base-Base interactions energy: -32.418
where: short stacking energy: -28.694
Base-Backbone interact. energy: -0.140
local terms energy: -51.469306
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -3.523
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: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -77.991309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.991309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.991309 (E_RNA)
where:
Base-Base interactions energy: -27.931
where: short stacking energy: -23.531
Base-Backbone interact. energy: 0.105
local terms energy: -50.165123
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -1.356
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: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -208.722689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.722689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.722689 (E_RNA)
where:
Base-Base interactions energy: -134.393
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.669
local terms energy: -73.660382
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -201.990098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.990098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.990098 (E_RNA)
where:
Base-Base interactions energy: -139.598
where: short stacking energy: -70.081
Base-Backbone interact. energy: -0.145
local terms energy: -62.247071
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -7.992
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: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -191.181859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.181859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.181859 (E_RNA)
where:
Base-Base interactions energy: -126.931
where: short stacking energy: -65.272
Base-Backbone interact. energy: -0.036
local terms energy: -64.214667
where:
bonds (distance) C4'-P energy: -7.810
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -169.303582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.303582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.303582 (E_RNA)
where:
Base-Base interactions energy: -102.457
where: short stacking energy: -53.183
Base-Backbone interact. energy: -0.000
local terms energy: -66.846312
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -168.968039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.968039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.968039 (E_RNA)
where:
Base-Base interactions energy: -103.449
where: short stacking energy: -53.820
Base-Backbone interact. energy: -0.139
local terms energy: -65.380813
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -162.005873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.005873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.005873 (E_RNA)
where:
Base-Base interactions energy: -103.136
where: short stacking energy: -53.375
Base-Backbone interact. energy: -0.082
local terms energy: -58.787873
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -13.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -110.437376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.437376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.437376 (E_RNA)
where:
Base-Base interactions energy: -51.947
where: short stacking energy: -37.129
Base-Backbone interact. energy: -0.266
local terms energy: -58.223773
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -5.607
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: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -84.501227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.501227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.501227 (E_RNA)
where:
Base-Base interactions energy: -28.941
where: short stacking energy: -26.621
Base-Backbone interact. energy: -0.250
local terms energy: -55.310396
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -84.521969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.521969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.521969 (E_RNA)
where:
Base-Base interactions energy: -37.404
where: short stacking energy: -22.541
Base-Backbone interact. energy: -0.275
local terms energy: -46.842882
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -81.561440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.561440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.561440 (E_RNA)
where:
Base-Base interactions energy: -39.062
where: short stacking energy: -25.613
Base-Backbone interact. energy: -0.191
local terms energy: -42.308146
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -209.067768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.067768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.067768 (E_RNA)
where:
Base-Base interactions energy: -140.169
where: short stacking energy: -53.622
Base-Backbone interact. energy: -0.149
local terms energy: -68.750619
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -11.961
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: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -206.825412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.825412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.825412 (E_RNA)
where:
Base-Base interactions energy: -135.047
where: short stacking energy: -67.153
Base-Backbone interact. energy: -0.149
local terms energy: -71.628898
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -191.798483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.798483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.798483 (E_RNA)
where:
Base-Base interactions energy: -122.230
where: short stacking energy: -66.417
Base-Backbone interact. energy: -0.025
local terms energy: -69.544121
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -163.145419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.145419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.145419 (E_RNA)
where:
Base-Base interactions energy: -102.043
where: short stacking energy: -46.345
Base-Backbone interact. energy: -0.985
local terms energy: -60.118103
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -154.444728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.444728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.444728 (E_RNA)
where:
Base-Base interactions energy: -95.596
where: short stacking energy: -55.754
Base-Backbone interact. energy: -0.097
local terms energy: -58.751998
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -7.064
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: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -130.671571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.671571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.671571 (E_RNA)
where:
Base-Base interactions energy: -68.350
where: short stacking energy: -36.546
Base-Backbone interact. energy: -1.801
local terms energy: -60.520567
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -121.325112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.325112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.325112 (E_RNA)
where:
Base-Base interactions energy: -70.251
where: short stacking energy: -36.671
Base-Backbone interact. energy: -0.062
local terms energy: -51.012609
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -110.615991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.615991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.615991 (E_RNA)
where:
Base-Base interactions energy: -60.005
where: short stacking energy: -37.227
Base-Backbone interact. energy: -1.213
local terms energy: -49.397796
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -86.572108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.572108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.572108 (E_RNA)
where:
Base-Base interactions energy: -37.771
where: short stacking energy: -22.739
Base-Backbone interact. energy: -0.513
local terms energy: -48.287714
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: 2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -75.668591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.668591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.668591 (E_RNA)
where:
Base-Base interactions energy: -24.091
where: short stacking energy: -17.879
Base-Backbone interact. energy: -0.393
local terms energy: -51.183786
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: 2.526
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: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -211.315937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.315937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.315937 (E_RNA)
where:
Base-Base interactions energy: -136.147
where: short stacking energy: -52.162
Base-Backbone interact. energy: -0.019
local terms energy: -75.150297
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -15.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -204.183341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.183341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.183341 (E_RNA)
where:
Base-Base interactions energy: -136.742
where: short stacking energy: -62.543
Base-Backbone interact. energy: -0.679
local terms energy: -66.762752
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -6.469
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: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -185.652934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.652934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.652934 (E_RNA)
where:
Base-Base interactions energy: -114.885
where: short stacking energy: -55.478
Base-Backbone interact. energy: -0.035
local terms energy: -70.733357
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -177.163133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.163133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.163133 (E_RNA)
where:
Base-Base interactions energy: -105.988
where: short stacking energy: -62.755
Base-Backbone interact. energy: -0.018
local terms energy: -71.157080
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -11.698
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: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -114.637505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.637505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.637505 (E_RNA)
where:
Base-Base interactions energy: -54.439
where: short stacking energy: -47.126
Base-Backbone interact. energy: -0.181
local terms energy: -60.017324
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -136.468372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.468372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.468372 (E_RNA)
where:
Base-Base interactions energy: -80.999
where: short stacking energy: -44.565
Base-Backbone interact. energy: -0.075
local terms energy: -55.394638
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -117.443077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.443077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.443077 (E_RNA)
where:
Base-Base interactions energy: -58.233
where: short stacking energy: -42.985
Base-Backbone interact. energy: -0.864
local terms energy: -58.345801
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -154.842364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.842364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.842364 (E_RNA)
where:
Base-Base interactions energy: -93.580
where: short stacking energy: -54.354
Base-Backbone interact. energy: -0.060
local terms energy: -61.202018
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -16.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -91.611752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.611752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.611752 (E_RNA)
where:
Base-Base interactions energy: -46.877
where: short stacking energy: -25.711
Base-Backbone interact. energy: -0.084
local terms energy: -44.650987
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -0.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -80.996915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.996915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.996915 (E_RNA)
where:
Base-Base interactions energy: -33.054
where: short stacking energy: -26.203
Base-Backbone interact. energy: -1.933
local terms energy: -46.010557
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -3.346
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -208.921595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.921595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.921595 (E_RNA)
where:
Base-Base interactions energy: -134.821
where: short stacking energy: -53.708
Base-Backbone interact. energy: -0.080
local terms energy: -74.020955
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -206.076377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.076377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.076377 (E_RNA)
where:
Base-Base interactions energy: -136.244
where: short stacking energy: -75.255
Base-Backbone interact. energy: -0.130
local terms energy: -69.702387
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -162.805029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.805029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.805029 (E_RNA)
where:
Base-Base interactions energy: -94.963
where: short stacking energy: -58.003
Base-Backbone interact. energy: 0.184
local terms energy: -68.025256
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -116.108355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.108355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.108355 (E_RNA)
where:
Base-Base interactions energy: -58.082
where: short stacking energy: -52.969
Base-Backbone interact. energy: -0.031
local terms energy: -57.995647
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -9.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -163.273116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.273116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.273116 (E_RNA)
where:
Base-Base interactions energy: -101.897
where: short stacking energy: -41.934
Base-Backbone interact. energy: 0.449
local terms energy: -61.825038
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -105.391318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.391318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.391318 (E_RNA)
where:
Base-Base interactions energy: -44.899
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.113
local terms energy: -60.379543
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -7.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -140.590488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.590488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.590488 (E_RNA)
where:
Base-Base interactions energy: -81.944
where: short stacking energy: -48.048
Base-Backbone interact. energy: -0.092
local terms energy: -58.553618
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -8.068
flat angles P-C4'-P energy: -11.204
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: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -127.408945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.408945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.408945 (E_RNA)
where:
Base-Base interactions energy: -71.730
where: short stacking energy: -37.876
Base-Backbone interact. energy: -0.160
local terms energy: -55.519033
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -80.797441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.797441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.797441 (E_RNA)
where:
Base-Base interactions energy: -42.896
where: short stacking energy: -21.827
Base-Backbone interact. energy: -0.239
local terms energy: -37.662298
where:
bonds (distance) C4'-P energy: -1.702
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -1.249
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: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -79.752330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.752330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.752330 (E_RNA)
where:
Base-Base interactions energy: -31.707
where: short stacking energy: -22.493
Base-Backbone interact. energy: 0.780
local terms energy: -48.824990
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: 1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -210.102472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.102472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.102472 (E_RNA)
where:
Base-Base interactions energy: -134.267
where: short stacking energy: -68.847
Base-Backbone interact. energy: -0.218
local terms energy: -75.617913
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -15.281
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: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -194.874724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.874724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.874724 (E_RNA)
where:
Base-Base interactions energy: -129.450
where: short stacking energy: -54.286
Base-Backbone interact. energy: -0.060
local terms energy: -65.364015
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -10.940
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: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -174.249756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.249756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.249756 (E_RNA)
where:
Base-Base interactions energy: -113.539
where: short stacking energy: -51.694
Base-Backbone interact. energy: 0.196
local terms energy: -60.906563
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -13.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -117.539647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.539647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.539647 (E_RNA)
where:
Base-Base interactions energy: -54.962
where: short stacking energy: -29.961
Base-Backbone interact. energy: -0.018
local terms energy: -62.559529
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -177.268113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.268113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.268113 (E_RNA)
where:
Base-Base interactions energy: -115.108
where: short stacking energy: -56.277
Base-Backbone interact. energy: -0.019
local terms energy: -62.141307
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -11.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -106.831554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.831554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.831554 (E_RNA)
where:
Base-Base interactions energy: -48.026
where: short stacking energy: -36.998
Base-Backbone interact. energy: -0.430
local terms energy: -58.375557
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -142.433806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.433806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.433806 (E_RNA)
where:
Base-Base interactions energy: -84.790
where: short stacking energy: -37.295
Base-Backbone interact. energy: -0.374
local terms energy: -57.269609
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -10.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -146.698537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.698537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.698537 (E_RNA)
where:
Base-Base interactions energy: -80.048
where: short stacking energy: -42.187
Base-Backbone interact. energy: -0.149
local terms energy: -66.501588
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -12.118
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: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -80.246152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.246152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.246152 (E_RNA)
where:
Base-Base interactions energy: -35.149
where: short stacking energy: -23.239
Base-Backbone interact. energy: 0.246
local terms energy: -45.343827
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -3.140
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -82.268530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.268530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.268530 (E_RNA)
where:
Base-Base interactions energy: -38.007
where: short stacking energy: -30.808
Base-Backbone interact. energy: -0.014
local terms energy: -44.247332
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -207.389907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.389907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.389907 (E_RNA)
where:
Base-Base interactions energy: -134.826
where: short stacking energy: -69.184
Base-Backbone interact. energy: 0.378
local terms energy: -72.942680
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -20.383
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: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -176.266394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.266394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.266394 (E_RNA)
where:
Base-Base interactions energy: -108.382
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.517
local terms energy: -67.366813
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -175.195593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.195593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.195593 (E_RNA)
where:
Base-Base interactions energy: -103.209
where: short stacking energy: -57.399
Base-Backbone interact. energy: -1.144
local terms energy: -70.842208
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -11.336
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: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -166.079983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.079983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.079983 (E_RNA)
where:
Base-Base interactions energy: -111.958
where: short stacking energy: -47.588
Base-Backbone interact. energy: 2.776
local terms energy: -56.897624
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -145.796642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.796642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.796642 (E_RNA)
where:
Base-Base interactions energy: -87.868
where: short stacking energy: -46.923
Base-Backbone interact. energy: -0.815
local terms energy: -57.112891
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -8.657
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -9.976
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: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -169.891888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.891888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.891888 (E_RNA)
where:
Base-Base interactions energy: -106.065
where: short stacking energy: -47.425
Base-Backbone interact. energy: -0.302
local terms energy: -63.525100
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -100.544143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.544143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.544143 (E_RNA)
where:
Base-Base interactions energy: -37.754
where: short stacking energy: -36.681
Base-Backbone interact. energy: -0.452
local terms energy: -62.338163
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -8.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -136.108422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.108422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.108422 (E_RNA)
where:
Base-Base interactions energy: -78.842
where: short stacking energy: -43.402
Base-Backbone interact. energy: -1.797
local terms energy: -55.469233
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -8.105
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: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -81.831575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.831575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.831575 (E_RNA)
where:
Base-Base interactions energy: -26.891
where: short stacking energy: -20.539
Base-Backbone interact. energy: -1.010
local terms energy: -53.930809
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: 0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -81.832475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.832475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.832475 (E_RNA)
where:
Base-Base interactions energy: -29.022
where: short stacking energy: -29.022
Base-Backbone interact. energy: -0.246
local terms energy: -52.564836
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -210.170431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.170431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.170431 (E_RNA)
where:
Base-Base interactions energy: -142.827
where: short stacking energy: -65.777
Base-Backbone interact. energy: -0.123
local terms energy: -67.221293
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -195.800678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.800678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.800678 (E_RNA)
where:
Base-Base interactions energy: -117.781
where: short stacking energy: -60.148
Base-Backbone interact. energy: -0.126
local terms energy: -77.893178
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -13.868
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: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -178.695732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.695732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.695732 (E_RNA)
where:
Base-Base interactions energy: -118.337
where: short stacking energy: -51.053
Base-Backbone interact. energy: -0.096
local terms energy: -60.262808
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -8.677
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: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -172.563425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.563425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.563425 (E_RNA)
where:
Base-Base interactions energy: -113.969
where: short stacking energy: -50.833
Base-Backbone interact. energy: -0.014
local terms energy: -58.580669
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -9.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -146.346157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.346157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.346157 (E_RNA)
where:
Base-Base interactions energy: -83.683
where: short stacking energy: -47.210
Base-Backbone interact. energy: -0.185
local terms energy: -62.478293
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -8.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -152.893379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.893379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.893379 (E_RNA)
where:
Base-Base interactions energy: -86.722
where: short stacking energy: -53.255
Base-Backbone interact. energy: -1.063
local terms energy: -65.108446
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -145.082308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.082308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.082308 (E_RNA)
where:
Base-Base interactions energy: -90.138
where: short stacking energy: -52.175
Base-Backbone interact. energy: -0.549
local terms energy: -54.395667
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -14.747
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: 148
Temperature: 1.250000
Total energy: -107.132414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.132414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.132414 (E_RNA)
where:
Base-Base interactions energy: -61.089
where: short stacking energy: -25.588
Base-Backbone interact. energy: -0.222
local terms energy: -45.822200
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -90.226524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.226524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.226524 (E_RNA)
where:
Base-Base interactions energy: -38.403
where: short stacking energy: -33.160
Base-Backbone interact. energy: -0.119
local terms energy: -51.703843
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -8.365
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: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -80.021872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.021872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.021872 (E_RNA)
where:
Base-Base interactions energy: -27.666
where: short stacking energy: -27.582
Base-Backbone interact. energy: 0.686
local terms energy: -53.042331
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -211.774970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.774970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.774970 (E_RNA)
where:
Base-Base interactions energy: -139.275
where: short stacking energy: -62.343
Base-Backbone interact. energy: -0.217
local terms energy: -72.282581
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -9.718
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: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -203.609880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.609880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.609880 (E_RNA)
where:
Base-Base interactions energy: -133.379
where: short stacking energy: -57.611
Base-Backbone interact. energy: -0.016
local terms energy: -70.215165
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -173.432714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.432714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.432714 (E_RNA)
where:
Base-Base interactions energy: -108.140
where: short stacking energy: -46.399
Base-Backbone interact. energy: -0.862
local terms energy: -64.430544
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -10.687
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: 4, replica: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -163.003234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.003234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.003234 (E_RNA)
where:
Base-Base interactions energy: -104.867
where: short stacking energy: -59.737
Base-Backbone interact. energy: -0.012
local terms energy: -58.124754
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -8.762
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: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -173.721754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.721754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.721754 (E_RNA)
where:
Base-Base interactions energy: -105.716
where: short stacking energy: -50.991
Base-Backbone interact. energy: -0.026
local terms energy: -67.979331
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -14.318
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: 149
Temperature: 1.150000
Total energy: -147.527215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.527215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.527215 (E_RNA)
where:
Base-Base interactions energy: -84.774
where: short stacking energy: -48.156
Base-Backbone interact. energy: 1.216
local terms energy: -63.968481
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -129.197378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.197378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.197378 (E_RNA)
where:
Base-Base interactions energy: -77.895
where: short stacking energy: -36.898
Base-Backbone interact. energy: -0.609
local terms energy: -50.693883
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -86.602355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.602355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.602355 (E_RNA)
where:
Base-Base interactions energy: -54.412
where: short stacking energy: -40.680
Base-Backbone interact. energy: -0.153
local terms energy: -32.037008
where:
bonds (distance) C4'-P energy: -7.044
bonds (distance) P-C4' energy: -8.231
flat angles C4'-P-C4' energy: -3.770
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -8.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -77.158757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.158757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.158757 (E_RNA)
where:
Base-Base interactions energy: -28.072
where: short stacking energy: -27.828
Base-Backbone interact. energy: -0.138
local terms energy: -48.948887
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -86.433303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.433303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.433303 (E_RNA)
where:
Base-Base interactions energy: -34.132
where: short stacking energy: -25.179
Base-Backbone interact. energy: -0.163
local terms energy: -52.137716
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -202.389658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.389658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.389658 (E_RNA)
where:
Base-Base interactions energy: -134.670
where: short stacking energy: -66.006
Base-Backbone interact. energy: 4.100
local terms energy: -71.819194
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -197.689793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.689793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.689793 (E_RNA)
where:
Base-Base interactions energy: -126.979
where: short stacking energy: -63.493
Base-Backbone interact. energy: -0.044
local terms energy: -70.666341
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -176.820731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.820731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.820731 (E_RNA)
where:
Base-Base interactions energy: -105.200
where: short stacking energy: -53.773
Base-Backbone interact. energy: -0.029
local terms energy: -71.591106
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -171.188083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.188083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.188083 (E_RNA)
where:
Base-Base interactions energy: -101.986
where: short stacking energy: -48.161
Base-Backbone interact. energy: 0.926
local terms energy: -70.128259
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -9.457
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: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -177.992935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.992935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.992935 (E_RNA)
where:
Base-Base interactions energy: -116.026
where: short stacking energy: -57.346
Base-Backbone interact. energy: -0.009
local terms energy: -61.958004
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -11.131
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: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -139.224643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.224643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.224643 (E_RNA)
where:
Base-Base interactions energy: -82.091
where: short stacking energy: -49.893
Base-Backbone interact. energy: -0.085
local terms energy: -57.048705
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -92.421616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.421616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.421616 (E_RNA)
where:
Base-Base interactions energy: -38.045
where: short stacking energy: -25.594
Base-Backbone interact. energy: 0.350
local terms energy: -54.727236
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -1.010
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: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -129.669561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.669561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.669561 (E_RNA)
where:
Base-Base interactions energy: -75.004
where: short stacking energy: -35.461
Base-Backbone interact. energy: -0.725
local terms energy: -53.940756
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: -8.943
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: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -83.293886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.293886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.293886 (E_RNA)
where:
Base-Base interactions energy: -35.732
where: short stacking energy: -31.486
Base-Backbone interact. energy: -0.096
local terms energy: -47.465817
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -5.026
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: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -78.681130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.681130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.681130 (E_RNA)
where:
Base-Base interactions energy: -33.639
where: short stacking energy: -33.639
Base-Backbone interact. energy: -0.102
local terms energy: -44.940725
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -8.374
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -213.780106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.780106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.780106 (E_RNA)
where:
Base-Base interactions energy: -138.023
where: short stacking energy: -69.354
Base-Backbone interact. energy: -0.204
local terms energy: -75.553688
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -203.622142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.622142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.622142 (E_RNA)
where:
Base-Base interactions energy: -135.615
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.032
local terms energy: -67.975086
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -13.224
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: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -177.160023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.160023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.160023 (E_RNA)
where:
Base-Base interactions energy: -103.574
where: short stacking energy: -47.281
Base-Backbone interact. energy: -0.250
local terms energy: -73.336570
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -194.167506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.167506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.167506 (E_RNA)
where:
Base-Base interactions energy: -122.610
where: short stacking energy: -58.426
Base-Backbone interact. energy: -0.019
local terms energy: -71.538231
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -160.539648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.539648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.539648 (E_RNA)
where:
Base-Base interactions energy: -105.586
where: short stacking energy: -45.816
Base-Backbone interact. energy: 1.019
local terms energy: -55.972060
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -9.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -109.012603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.012603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.012603 (E_RNA)
where:
Base-Base interactions energy: -40.889
where: short stacking energy: -40.889
Base-Backbone interact. energy: -0.326
local terms energy: -67.797087
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -9.754
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: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -99.396680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.396680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.396680 (E_RNA)
where:
Base-Base interactions energy: -47.411
where: short stacking energy: -22.520
Base-Backbone interact. energy: -0.369
local terms energy: -51.617062
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -95.869962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.869962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.869962 (E_RNA)
where:
Base-Base interactions energy: -38.614
where: short stacking energy: -38.814
Base-Backbone interact. energy: -0.030
local terms energy: -57.225487
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -80.546128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.546128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.546128 (E_RNA)
where:
Base-Base interactions energy: -32.088
where: short stacking energy: -32.088
Base-Backbone interact. energy: 0.431
local terms energy: -48.889451
where:
bonds (distance) C4'-P energy: -8.119
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -85.647608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.647608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.647608 (E_RNA)
where:
Base-Base interactions energy: -36.769
where: short stacking energy: -36.769
Base-Backbone interact. energy: -0.062
local terms energy: -48.816612
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -216.532145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.532145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.532145 (E_RNA)
where:
Base-Base interactions energy: -132.820
where: short stacking energy: -62.646
Base-Backbone interact. energy: -1.040
local terms energy: -82.672079
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -20.774
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: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -200.990846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.990846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.990846 (E_RNA)
where:
Base-Base interactions energy: -125.131
where: short stacking energy: -59.178
Base-Backbone interact. energy: -0.480
local terms energy: -75.379705
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -195.964871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.964871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.964871 (E_RNA)
where:
Base-Base interactions energy: -124.191
where: short stacking energy: -64.151
Base-Backbone interact. energy: -0.017
local terms energy: -71.757194
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -160.871759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.871759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.871759 (E_RNA)
where:
Base-Base interactions energy: -112.915
where: short stacking energy: -44.613
Base-Backbone interact. energy: 1.394
local terms energy: -49.350939
where:
bonds (distance) C4'-P energy: -8.551
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -8.099
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: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -158.540387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.540387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.540387 (E_RNA)
where:
Base-Base interactions energy: -107.313
where: short stacking energy: -40.456
Base-Backbone interact. energy: -0.334
local terms energy: -50.893761
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -101.366894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.366894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.366894 (E_RNA)
where:
Base-Base interactions energy: -49.537
where: short stacking energy: -30.158
Base-Backbone interact. energy: 2.542
local terms energy: -54.372308
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -3.254
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: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -87.360992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.360992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.360992 (E_RNA)
where:
Base-Base interactions energy: -32.232
where: short stacking energy: -32.232
Base-Backbone interact. energy: -0.024
local terms energy: -55.104356
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -93.072715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.072715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.072715 (E_RNA)
where:
Base-Base interactions energy: -43.264
where: short stacking energy: -32.189
Base-Backbone interact. energy: -0.271
local terms energy: -49.537900
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -2.833
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: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -78.643738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.643738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.643738 (E_RNA)
where:
Base-Base interactions energy: -33.767
where: short stacking energy: -28.454
Base-Backbone interact. energy: -0.221
local terms energy: -44.655338
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: 1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -78.078536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.078536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.078536 (E_RNA)
where:
Base-Base interactions energy: -29.156
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.152
local terms energy: -48.770527
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -208.166048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.166048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.166048 (E_RNA)
where:
Base-Base interactions energy: -135.843
where: short stacking energy: -65.541
Base-Backbone interact. energy: 0.992
local terms energy: -73.315520
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -19.024
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: 153
Temperature: 0.950000
Total energy: -170.099205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.099205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.099205 (E_RNA)
where:
Base-Base interactions energy: -105.176
where: short stacking energy: -52.986
Base-Backbone interact. energy: -0.118
local terms energy: -64.805521
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -187.768184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.768184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.768184 (E_RNA)
where:
Base-Base interactions energy: -116.693
where: short stacking energy: -57.488
Base-Backbone interact. energy: -0.020
local terms energy: -71.054803
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -179.338991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.338991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.338991 (E_RNA)
where:
Base-Base interactions energy: -119.869
where: short stacking energy: -48.695
Base-Backbone interact. energy: -0.205
local terms energy: -59.264488
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -12.124
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: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -155.580453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.580453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.580453 (E_RNA)
where:
Base-Base interactions energy: -87.112
where: short stacking energy: -48.697
Base-Backbone interact. energy: -0.037
local terms energy: -68.431430
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -14.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -99.297386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.297386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.297386 (E_RNA)
where:
Base-Base interactions energy: -45.281
where: short stacking energy: -45.281
Base-Backbone interact. energy: -0.012
local terms energy: -54.003572
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -12.457
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: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -90.922204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.922204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.922204 (E_RNA)
where:
Base-Base interactions energy: -31.132
where: short stacking energy: -22.617
Base-Backbone interact. energy: -0.294
local terms energy: -59.496318
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -86.366401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.366401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.366401 (E_RNA)
where:
Base-Base interactions energy: -37.710
where: short stacking energy: -29.445
Base-Backbone interact. energy: -0.192
local terms energy: -48.465274
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -0.527
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: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -91.996400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.996400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.996400 (E_RNA)
where:
Base-Base interactions energy: -41.097
where: short stacking energy: -28.022
Base-Backbone interact. energy: -0.410
local terms energy: -50.489149
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -71.916825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.916825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.916825 (E_RNA)
where:
Base-Base interactions energy: -22.999
where: short stacking energy: -19.896
Base-Backbone interact. energy: 0.277
local terms energy: -49.194546
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -210.219810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.219810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.219810 (E_RNA)
where:
Base-Base interactions energy: -137.327
where: short stacking energy: -65.304
Base-Backbone interact. energy: -0.031
local terms energy: -72.861300
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -12.559
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: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -185.792935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.792935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.792935 (E_RNA)
where:
Base-Base interactions energy: -117.070
where: short stacking energy: -61.182
Base-Backbone interact. energy: -0.094
local terms energy: -68.629425
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -7.676
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: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -183.760101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.760101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.760101 (E_RNA)
where:
Base-Base interactions energy: -120.743
where: short stacking energy: -55.512
Base-Backbone interact. energy: 1.103
local terms energy: -64.119897
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -10.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -185.795281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.795281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.795281 (E_RNA)
where:
Base-Base interactions energy: -119.669
where: short stacking energy: -66.542
Base-Backbone interact. energy: 0.390
local terms energy: -66.516262
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -96.807184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.807184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.807184 (E_RNA)
where:
Base-Base interactions energy: -40.996
where: short stacking energy: -40.996
Base-Backbone interact. energy: 0.404
local terms energy: -56.215568
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -117.599607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.599607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.599607 (E_RNA)
where:
Base-Base interactions energy: -53.272
where: short stacking energy: -45.130
Base-Backbone interact. energy: -0.035
local terms energy: -64.292263
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -13.059
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: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -92.363015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.363015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.363015 (E_RNA)
where:
Base-Base interactions energy: -32.571
where: short stacking energy: -28.630
Base-Backbone interact. energy: -0.345
local terms energy: -59.446931
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -81.905918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.905918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.905918 (E_RNA)
where:
Base-Base interactions energy: -31.674
where: short stacking energy: -31.674
Base-Backbone interact. energy: -0.173
local terms energy: -50.059119
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -80.422177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.422177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.422177 (E_RNA)
where:
Base-Base interactions energy: -33.734
where: short stacking energy: -26.331
Base-Backbone interact. energy: -0.596
local terms energy: -46.091931
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -8.260
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: 1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -100.272099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.272099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.272099 (E_RNA)
where:
Base-Base interactions energy: -57.864
where: short stacking energy: -24.535
Base-Backbone interact. energy: -0.012
local terms energy: -42.395543
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -1.697
tors. eta vs tors. theta energy: -2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -212.174819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.174819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.174819 (E_RNA)
where:
Base-Base interactions energy: -140.106
where: short stacking energy: -70.526
Base-Backbone interact. energy: 0.755
local terms energy: -72.824008
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -205.185724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.185724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.185724 (E_RNA)
where:
Base-Base interactions energy: -137.502
where: short stacking energy: -54.825
Base-Backbone interact. energy: 0.150
local terms energy: -67.834124
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -190.499865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.499865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.499865 (E_RNA)
where:
Base-Base interactions energy: -109.949
where: short stacking energy: -67.546
Base-Backbone interact. energy: -0.019
local terms energy: -80.531887
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -19.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -181.226164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.226164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.226164 (E_RNA)
where:
Base-Base interactions energy: -113.921
where: short stacking energy: -57.694
Base-Backbone interact. energy: -0.087
local terms energy: -67.217919
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -102.827630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.827630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.827630 (E_RNA)
where:
Base-Base interactions energy: -46.950
where: short stacking energy: -29.996
Base-Backbone interact. energy: -0.303
local terms energy: -55.574486
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -115.303015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.303015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.303015 (E_RNA)
where:
Base-Base interactions energy: -56.987
where: short stacking energy: -41.818
Base-Backbone interact. energy: -0.003
local terms energy: -58.312699
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -88.247651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.247651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.247651 (E_RNA)
where:
Base-Base interactions energy: -39.137
where: short stacking energy: -34.890
Base-Backbone interact. energy: -0.259
local terms energy: -48.851413
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -94.854831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.854831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.854831 (E_RNA)
where:
Base-Base interactions energy: -40.058
where: short stacking energy: -21.637
Base-Backbone interact. energy: 0.927
local terms energy: -55.724026
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -86.574054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.574054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.574054 (E_RNA)
where:
Base-Base interactions energy: -36.477
where: short stacking energy: -22.767
Base-Backbone interact. energy: -0.019
local terms energy: -50.078034
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -78.020418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.020418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.020418 (E_RNA)
where:
Base-Base interactions energy: -31.786
where: short stacking energy: -20.045
Base-Backbone interact. energy: -0.067
local terms energy: -46.167765
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -2.275
tors. eta vs tors. theta energy: 0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -213.984042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.984042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.984042 (E_RNA)
where:
Base-Base interactions energy: -136.720
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.063
local terms energy: -77.200687
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -214.170800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.170800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.170800 (E_RNA)
where:
Base-Base interactions energy: -147.554
where: short stacking energy: -62.651
Base-Backbone interact. energy: -0.258
local terms energy: -66.358748
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -182.474935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.474935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.474935 (E_RNA)
where:
Base-Base interactions energy: -105.464
where: short stacking energy: -62.097
Base-Backbone interact. energy: -0.001
local terms energy: -77.010771
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -180.981654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.981654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.981654 (E_RNA)
where:
Base-Base interactions energy: -117.014
where: short stacking energy: -54.693
Base-Backbone interact. energy: -0.054
local terms energy: -63.914535
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -4.786
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: 5, replica: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -106.823269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.823269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.823269 (E_RNA)
where:
Base-Base interactions energy: -46.106
where: short stacking energy: -46.106
Base-Backbone interact. energy: -0.042
local terms energy: -60.675054
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -9.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -95.980556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.980556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.980556 (E_RNA)
where:
Base-Base interactions energy: -42.237
where: short stacking energy: -37.508
Base-Backbone interact. energy: 1.805
local terms energy: -55.548672
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -0.575
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -89.762281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.762281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.762281 (E_RNA)
where:
Base-Base interactions energy: -33.749
where: short stacking energy: -33.749
Base-Backbone interact. energy: -0.298
local terms energy: -55.715583
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -86.330000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.330000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.330000 (E_RNA)
where:
Base-Base interactions energy: -38.182
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.131
local terms energy: -48.017453
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -87.997596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.997596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.997596 (E_RNA)
where:
Base-Base interactions energy: -46.179
where: short stacking energy: -31.356
Base-Backbone interact. energy: -0.285
local terms energy: -41.534027
where:
bonds (distance) C4'-P energy: -6.758
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -5.236
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -75.209867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.209867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.209867 (E_RNA)
where:
Base-Base interactions energy: -25.414
where: short stacking energy: -25.414
Base-Backbone interact. energy: -0.104
local terms energy: -49.691409
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -216.498452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.498452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.498452 (E_RNA)
where:
Base-Base interactions energy: -142.898
where: short stacking energy: -65.611
Base-Backbone interact. energy: -0.051
local terms energy: -73.549135
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -177.317453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.317453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.317453 (E_RNA)
where:
Base-Base interactions energy: -104.426
where: short stacking energy: -57.486
Base-Backbone interact. energy: -0.128
local terms energy: -72.763157
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -16.326
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: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -183.747892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.747892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.747892 (E_RNA)
where:
Base-Base interactions energy: -123.738
where: short stacking energy: -46.610
Base-Backbone interact. energy: -0.425
local terms energy: -59.584931
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -6.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -170.781660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.781660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.781660 (E_RNA)
where:
Base-Base interactions energy: -109.812
where: short stacking energy: -54.795
Base-Backbone interact. energy: -0.027
local terms energy: -60.942846
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -6.239
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: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -104.887406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.887406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.887406 (E_RNA)
where:
Base-Base interactions energy: -51.909
where: short stacking energy: -37.941
Base-Backbone interact. energy: -1.089
local terms energy: -51.889620
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -2.693
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -91.763754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.763754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.763754 (E_RNA)
where:
Base-Base interactions energy: -37.016
where: short stacking energy: -37.016
Base-Backbone interact. energy: 0.129
local terms energy: -54.876306
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -8.205
flat angles P-C4'-P energy: -8.147
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: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -84.424129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.424129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.424129 (E_RNA)
where:
Base-Base interactions energy: -35.291
where: short stacking energy: -35.291
Base-Backbone interact. energy: -0.610
local terms energy: -48.522821
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -93.551430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.551430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.551430 (E_RNA)
where:
Base-Base interactions energy: -36.901
where: short stacking energy: -36.901
Base-Backbone interact. energy: -0.118
local terms energy: -56.532589
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -77.015301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.015301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.015301 (E_RNA)
where:
Base-Base interactions energy: -32.611
where: short stacking energy: -32.611
Base-Backbone interact. energy: -0.094
local terms energy: -44.309930
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -8.367
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: 0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -74.510547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.510547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.510547 (E_RNA)
where:
Base-Base interactions energy: -22.531
where: short stacking energy: -21.374
Base-Backbone interact. energy: -0.194
local terms energy: -51.785792
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -221.787699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.787699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.787699 (E_RNA)
where:
Base-Base interactions energy: -145.491
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.019
local terms energy: -76.277357
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -196.250861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.250861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.250861 (E_RNA)
where:
Base-Base interactions energy: -125.188
where: short stacking energy: -65.710
Base-Backbone interact. energy: -0.005
local terms energy: -71.057875
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -13.869
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: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -187.751470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.751470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.751470 (E_RNA)
where:
Base-Base interactions energy: -111.720
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.046
local terms energy: -75.986012
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -187.368735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.368735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.368735 (E_RNA)
where:
Base-Base interactions energy: -122.384
where: short stacking energy: -50.993
Base-Backbone interact. energy: -0.048
local terms energy: -64.936727
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -7.614
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: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -103.076365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.076365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.076365 (E_RNA)
where:
Base-Base interactions energy: -47.347
where: short stacking energy: -43.499
Base-Backbone interact. energy: -0.069
local terms energy: -55.660938
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -93.124250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.124250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.124250 (E_RNA)
where:
Base-Base interactions energy: -37.148
where: short stacking energy: -37.148
Base-Backbone interact. energy: -0.122
local terms energy: -55.853688
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -4.079
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -93.508636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.508636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.508636 (E_RNA)
where:
Base-Base interactions energy: -46.902
where: short stacking energy: -46.902
Base-Backbone interact. energy: -0.190
local terms energy: -46.416698
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -87.152446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.152446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.152446 (E_RNA)
where:
Base-Base interactions energy: -39.581
where: short stacking energy: -34.303
Base-Backbone interact. energy: 0.628
local terms energy: -48.199122
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -3.092
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: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -90.606033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.606033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.606033 (E_RNA)
where:
Base-Base interactions energy: -43.023
where: short stacking energy: -37.199
Base-Backbone interact. energy: -0.305
local terms energy: -47.278468
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -75.241065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.241065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.241065 (E_RNA)
where:
Base-Base interactions energy: -29.151
where: short stacking energy: -29.151
Base-Backbone interact. energy: -1.050
local terms energy: -45.040382
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -6.179
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -207.263654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.263654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.263654 (E_RNA)
where:
Base-Base interactions energy: -135.170
where: short stacking energy: -51.393
Base-Backbone interact. energy: -0.961
local terms energy: -71.132944
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -13.197
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: 159
Temperature: 0.950000
Total energy: -199.602845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.602845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.602845 (E_RNA)
where:
Base-Base interactions energy: -129.125
where: short stacking energy: -63.780
Base-Backbone interact. energy: -0.085
local terms energy: -70.392076
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -10.918
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: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -179.382183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.382183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.382183 (E_RNA)
where:
Base-Base interactions energy: -108.405
where: short stacking energy: -61.235
Base-Backbone interact. energy: -0.321
local terms energy: -70.656339
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -108.621100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.621100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.621100 (E_RNA)
where:
Base-Base interactions energy: -45.668
where: short stacking energy: -45.551
Base-Backbone interact. energy: -0.095
local terms energy: -62.857496
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -163.212692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.212692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.212692 (E_RNA)
where:
Base-Base interactions energy: -108.643
where: short stacking energy: -56.042
Base-Backbone interact. energy: -0.137
local terms energy: -54.432186
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -9.906
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -10.830
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: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -99.161682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.161682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.161682 (E_RNA)
where:
Base-Base interactions energy: -47.528
where: short stacking energy: -42.071
Base-Backbone interact. energy: -0.056
local terms energy: -51.577674
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -94.201156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.201156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.201156 (E_RNA)
where:
Base-Base interactions energy: -36.307
where: short stacking energy: -29.689
Base-Backbone interact. energy: -0.020
local terms energy: -57.874946
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -98.448805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.448805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.448805 (E_RNA)
where:
Base-Base interactions energy: -38.974
where: short stacking energy: -33.142
Base-Backbone interact. energy: -0.044
local terms energy: -59.430861
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -8.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -79.923851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.923851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.923851 (E_RNA)
where:
Base-Base interactions energy: -27.260
where: short stacking energy: -23.041
Base-Backbone interact. energy: -0.345
local terms energy: -52.318687
where:
bonds (distance) C4'-P energy: -9.778
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -3.508
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: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -69.760806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.760806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.760806 (E_RNA)
where:
Base-Base interactions energy: -30.296
where: short stacking energy: -16.741
Base-Backbone interact. energy: -0.213
local terms energy: -39.251835
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -197.807873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.807873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.807873 (E_RNA)
where:
Base-Base interactions energy: -123.174
where: short stacking energy: -61.740
Base-Backbone interact. energy: -0.031
local terms energy: -74.602238
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -13.699
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: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -210.874686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.874686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.874686 (E_RNA)
where:
Base-Base interactions energy: -136.186
where: short stacking energy: -64.609
Base-Backbone interact. energy: -0.202
local terms energy: -74.487199
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -192.734747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.734747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.734747 (E_RNA)
where:
Base-Base interactions energy: -119.444
where: short stacking energy: -67.201
Base-Backbone interact. energy: -0.299
local terms energy: -72.991287
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -101.445892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.445892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.445892 (E_RNA)
where:
Base-Base interactions energy: -46.239
where: short stacking energy: -35.560
Base-Backbone interact. energy: -0.042
local terms energy: -55.165188
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -151.030888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.030888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.030888 (E_RNA)
where:
Base-Base interactions energy: -91.603
where: short stacking energy: -49.141
Base-Backbone interact. energy: -0.006
local terms energy: -59.421968
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -8.999
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: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -98.361767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.361767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.361767 (E_RNA)
where:
Base-Base interactions energy: -43.449
where: short stacking energy: -43.449
Base-Backbone interact. energy: -0.182
local terms energy: -54.730748
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -8.989
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -93.478446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.478446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.478446 (E_RNA)
where:
Base-Base interactions energy: -36.606
where: short stacking energy: -34.777
Base-Backbone interact. energy: 0.051
local terms energy: -56.922751
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -98.559201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.559201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.559201 (E_RNA)
where:
Base-Base interactions energy: -46.733
where: short stacking energy: -46.020
Base-Backbone interact. energy: -0.087
local terms energy: -51.739223
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -76.888971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.888971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.888971 (E_RNA)
where:
Base-Base interactions energy: -28.983
where: short stacking energy: -28.983
Base-Backbone interact. energy: 0.834
local terms energy: -48.740003
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -88.370103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.370103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.370103 (E_RNA)
where:
Base-Base interactions energy: -32.421
where: short stacking energy: -26.945
Base-Backbone interact. energy: -0.078
local terms energy: -55.871749
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -3.389
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: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -203.714605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.714605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.714605 (E_RNA)
where:
Base-Base interactions energy: -133.389
where: short stacking energy: -62.396
Base-Backbone interact. energy: -0.293
local terms energy: -70.031945
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -192.135604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.135604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.135604 (E_RNA)
where:
Base-Base interactions energy: -126.232
where: short stacking energy: -65.828
Base-Backbone interact. energy: 0.500
local terms energy: -66.403713
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -198.192167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.192167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.192167 (E_RNA)
where:
Base-Base interactions energy: -133.897
where: short stacking energy: -64.741
Base-Backbone interact. energy: -0.057
local terms energy: -64.238168
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -160.618984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.618984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.618984 (E_RNA)
where:
Base-Base interactions energy: -100.834
where: short stacking energy: -52.398
Base-Backbone interact. energy: -1.371
local terms energy: -58.413989
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -7.287
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: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -97.151670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.151670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.151670 (E_RNA)
where:
Base-Base interactions energy: -41.659
where: short stacking energy: -32.871
Base-Backbone interact. energy: 1.611
local terms energy: -57.104260
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -8.250
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: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -100.521710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.521710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.521710 (E_RNA)
where:
Base-Base interactions energy: -39.295
where: short stacking energy: -39.295
Base-Backbone interact. energy: -0.041
local terms energy: -61.184850
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -11.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -94.135282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.135282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.135282 (E_RNA)
where:
Base-Base interactions energy: -41.511
where: short stacking energy: -38.280
Base-Backbone interact. energy: -0.081
local terms energy: -52.542869
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -92.991580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.991580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.991580 (E_RNA)
where:
Base-Base interactions energy: -38.903
where: short stacking energy: -31.025
Base-Backbone interact. energy: -0.139
local terms energy: -53.949551
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -2.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -84.734642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.734642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.734642 (E_RNA)
where:
Base-Base interactions energy: -29.106
where: short stacking energy: -30.006
Base-Backbone interact. energy: -0.377
local terms energy: -55.251317
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -107.725742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.725742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.725742 (E_RNA)
where:
Base-Base interactions energy: -56.408
where: short stacking energy: -39.171
Base-Backbone interact. energy: 1.943
local terms energy: -53.260574
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -203.820410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.820410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.820410 (E_RNA)
where:
Base-Base interactions energy: -132.516
where: short stacking energy: -66.136
Base-Backbone interact. energy: -0.034
local terms energy: -71.270582
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -11.738
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: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -195.582041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.582041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.582041 (E_RNA)
where:
Base-Base interactions energy: -121.948
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.026
local terms energy: -73.607861
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -11.440
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: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -200.194665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.194665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.194665 (E_RNA)
where:
Base-Base interactions energy: -132.365
where: short stacking energy: -58.031
Base-Backbone interact. energy: 0.384
local terms energy: -68.213075
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -156.643406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.643406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.643406 (E_RNA)
where:
Base-Base interactions energy: -100.720
where: short stacking energy: -47.239
Base-Backbone interact. energy: -0.778
local terms energy: -55.145453
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -11.189
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: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -104.719147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.719147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.719147 (E_RNA)
where:
Base-Base interactions energy: -46.230
where: short stacking energy: -46.230
Base-Backbone interact. energy: -0.072
local terms energy: -58.417523
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -9.797
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: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -102.002297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.002297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.002297 (E_RNA)
where:
Base-Base interactions energy: -44.409
where: short stacking energy: -42.415
Base-Backbone interact. energy: 0.492
local terms energy: -58.085578
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -109.660815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.660815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.660815 (E_RNA)
where:
Base-Base interactions energy: -63.575
where: short stacking energy: -31.556
Base-Backbone interact. energy: 1.592
local terms energy: -47.678044
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -88.375603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.375603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.375603 (E_RNA)
where:
Base-Base interactions energy: -38.070
where: short stacking energy: -36.835
Base-Backbone interact. energy: -0.155
local terms energy: -50.150563
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -85.273285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.273285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.273285 (E_RNA)
where:
Base-Base interactions energy: -37.508
where: short stacking energy: -30.260
Base-Backbone interact. energy: -0.198
local terms energy: -47.568260
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -83.274585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.274585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.274585 (E_RNA)
where:
Base-Base interactions energy: -39.663
where: short stacking energy: -25.680
Base-Backbone interact. energy: -0.429
local terms energy: -43.182833
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -201.886913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.886913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.886913 (E_RNA)
where:
Base-Base interactions energy: -122.128
where: short stacking energy: -71.762
Base-Backbone interact. energy: -0.004
local terms energy: -79.755749
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -197.842771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.842771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.842771 (E_RNA)
where:
Base-Base interactions energy: -126.999
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.574
local terms energy: -70.269797
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -17.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -204.596564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.596564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.596564 (E_RNA)
where:
Base-Base interactions energy: -139.438
where: short stacking energy: -63.344
Base-Backbone interact. energy: -0.110
local terms energy: -65.048433
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -107.271508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.271508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.271508 (E_RNA)
where:
Base-Base interactions energy: -46.418
where: short stacking energy: -46.418
Base-Backbone interact. energy: -0.026
local terms energy: -60.827634
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -152.476871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.476871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.476871 (E_RNA)
where:
Base-Base interactions energy: -89.463
where: short stacking energy: -58.622
Base-Backbone interact. energy: -0.053
local terms energy: -62.961354
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -135.653753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.653753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.653753 (E_RNA)
where:
Base-Base interactions energy: -79.894
where: short stacking energy: -50.654
Base-Backbone interact. energy: -0.198
local terms energy: -55.561546
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -95.719598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.719598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.719598 (E_RNA)
where:
Base-Base interactions energy: -42.962
where: short stacking energy: -36.642
Base-Backbone interact. energy: -0.073
local terms energy: -52.684686
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -83.232850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.232850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.232850 (E_RNA)
where:
Base-Base interactions energy: -30.783
where: short stacking energy: -24.145
Base-Backbone interact. energy: -0.142
local terms energy: -52.307815
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -83.930295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.930295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.930295 (E_RNA)
where:
Base-Base interactions energy: -28.666
where: short stacking energy: -28.666
Base-Backbone interact. energy: 1.013
local terms energy: -56.277068
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -81.613005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.613005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.613005 (E_RNA)
where:
Base-Base interactions energy: -39.427
where: short stacking energy: -22.952
Base-Backbone interact. energy: -0.228
local terms energy: -41.958203
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -8.652
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -204.374406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.374406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.374406 (E_RNA)
where:
Base-Base interactions energy: -130.829
where: short stacking energy: -70.451
Base-Backbone interact. energy: 0.118
local terms energy: -73.663450
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -8.053
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: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -191.810581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.810581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.810581 (E_RNA)
where:
Base-Base interactions energy: -122.602
where: short stacking energy: -62.566
Base-Backbone interact. energy: -0.047
local terms energy: -69.161865
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -205.330192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.330192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.330192 (E_RNA)
where:
Base-Base interactions energy: -142.277
where: short stacking energy: -53.554
Base-Backbone interact. energy: 1.237
local terms energy: -64.289860
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -114.583677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.583677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.583677 (E_RNA)
where:
Base-Base interactions energy: -69.188
where: short stacking energy: -41.903
Base-Backbone interact. energy: -0.073
local terms energy: -45.322549
where:
bonds (distance) C4'-P energy: -6.537
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -4.746
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: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -156.307365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.307365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.307365 (E_RNA)
where:
Base-Base interactions energy: -88.020
where: short stacking energy: -50.774
Base-Backbone interact. energy: 2.531
local terms energy: -70.818616
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -158.145819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.145819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.145819 (E_RNA)
where:
Base-Base interactions energy: -97.424
where: short stacking energy: -52.935
Base-Backbone interact. energy: -1.381
local terms energy: -59.341139
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -7.908
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: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -87.477844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.477844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.477844 (E_RNA)
where:
Base-Base interactions energy: -42.947
where: short stacking energy: -38.592
Base-Backbone interact. energy: 2.085
local terms energy: -46.615681
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: 0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -84.866953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.866953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.866953 (E_RNA)
where:
Base-Base interactions energy: -30.967
where: short stacking energy: -23.085
Base-Backbone interact. energy: -0.235
local terms energy: -53.665372
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: 0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -84.336627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.336627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.336627 (E_RNA)
where:
Base-Base interactions energy: -37.922
where: short stacking energy: -34.431
Base-Backbone interact. energy: -0.193
local terms energy: -46.221043
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -77.305657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.305657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.305657 (E_RNA)
where:
Base-Base interactions energy: -29.257
where: short stacking energy: -26.452
Base-Backbone interact. energy: -0.298
local terms energy: -47.750446
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -2.864
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -202.957538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.957538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.957538 (E_RNA)
where:
Base-Base interactions energy: -127.705
where: short stacking energy: -69.769
Base-Backbone interact. energy: -0.386
local terms energy: -74.866867
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -186.674937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.674937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.674937 (E_RNA)
where:
Base-Base interactions energy: -128.524
where: short stacking energy: -40.631
Base-Backbone interact. energy: -0.139
local terms energy: -58.011255
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -10.066
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -193.677760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.677760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.677760 (E_RNA)
where:
Base-Base interactions energy: -125.464
where: short stacking energy: -59.057
Base-Backbone interact. energy: -1.768
local terms energy: -66.444844
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -10.101
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: 165
Temperature: 1.050000
Total energy: -132.372477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.372477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.372477 (E_RNA)
where:
Base-Base interactions energy: -79.918
where: short stacking energy: -37.880
Base-Backbone interact. energy: -0.332
local terms energy: -52.123164
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -118.008201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.008201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.008201 (E_RNA)
where:
Base-Base interactions energy: -50.584
where: short stacking energy: -50.584
Base-Backbone interact. energy: -0.016
local terms energy: -67.408178
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -8.108
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: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -128.833430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.833430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.833430 (E_RNA)
where:
Base-Base interactions energy: -78.248
where: short stacking energy: -36.857
Base-Backbone interact. energy: 1.583
local terms energy: -52.168681
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -146.982352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.982352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.982352 (E_RNA)
where:
Base-Base interactions energy: -89.699
where: short stacking energy: -53.548
Base-Backbone interact. energy: -0.198
local terms energy: -57.085326
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -10.636
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: 8, replica: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -85.896015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.896015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.896015 (E_RNA)
where:
Base-Base interactions energy: -38.573
where: short stacking energy: -26.742
Base-Backbone interact. energy: -0.232
local terms energy: -47.091430
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: 1.895
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: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -83.891936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.891936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.891936 (E_RNA)
where:
Base-Base interactions energy: -35.067
where: short stacking energy: -35.067
Base-Backbone interact. energy: -0.064
local terms energy: -48.761425
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -9.159
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -9.569
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: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -70.754662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.754662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.754662 (E_RNA)
where:
Base-Base interactions energy: -37.815
where: short stacking energy: -22.245
Base-Backbone interact. energy: -0.167
local terms energy: -32.772979
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -6.673
flat angles P-C4'-P energy: -0.050
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -220.706866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.706866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.706866 (E_RNA)
where:
Base-Base interactions energy: -140.435
where: short stacking energy: -69.211
Base-Backbone interact. energy: -0.527
local terms energy: -79.744566
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -12.984
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: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -206.325003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.325003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.325003 (E_RNA)
where:
Base-Base interactions energy: -135.931
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.276
local terms energy: -70.117638
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -195.068660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.068660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.068660 (E_RNA)
where:
Base-Base interactions energy: -120.067
where: short stacking energy: -63.869
Base-Backbone interact. energy: -0.002
local terms energy: -74.999600
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -116.439968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.439968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.439968 (E_RNA)
where:
Base-Base interactions energy: -53.777
where: short stacking energy: -51.539
Base-Backbone interact. energy: -0.101
local terms energy: -62.561886
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -13.117
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: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -152.764980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.764980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.764980 (E_RNA)
where:
Base-Base interactions energy: -103.707
where: short stacking energy: -51.731
Base-Backbone interact. energy: -0.271
local terms energy: -48.786852
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -99.384424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.384424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.384424 (E_RNA)
where:
Base-Base interactions energy: -42.953
where: short stacking energy: -39.655
Base-Backbone interact. energy: -0.110
local terms energy: -56.321682
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -8.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -135.339523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.339523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.339523 (E_RNA)
where:
Base-Base interactions energy: -80.910
where: short stacking energy: -47.291
Base-Backbone interact. energy: 0.986
local terms energy: -55.415197
where:
bonds (distance) C4'-P energy: -7.977
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -11.282
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: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -89.680738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.680738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.680738 (E_RNA)
where:
Base-Base interactions energy: -30.805
where: short stacking energy: -27.569
Base-Backbone interact. energy: -0.280
local terms energy: -58.595049
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -6.524
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: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -77.101378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.101378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.101378 (E_RNA)
where:
Base-Base interactions energy: -27.336
where: short stacking energy: -27.336
Base-Backbone interact. energy: -0.270
local terms energy: -49.495545
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: 1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -87.748948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.748948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.748948 (E_RNA)
where:
Base-Base interactions energy: -39.176
where: short stacking energy: -35.816
Base-Backbone interact. energy: 2.419
local terms energy: -50.991951
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -193.887803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.887803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.887803 (E_RNA)
where:
Base-Base interactions energy: -123.467
where: short stacking energy: -56.757
Base-Backbone interact. energy: 2.745
local terms energy: -73.165002
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -12.446
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: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -194.776799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.776799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.776799 (E_RNA)
where:
Base-Base interactions energy: -122.716
where: short stacking energy: -50.434
Base-Backbone interact. energy: -0.022
local terms energy: -72.038106
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -14.086
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: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -186.899693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.899693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.899693 (E_RNA)
where:
Base-Base interactions energy: -125.619
where: short stacking energy: -61.526
Base-Backbone interact. energy: -0.096
local terms energy: -61.184408
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -160.831439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.831439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.831439 (E_RNA)
where:
Base-Base interactions energy: -102.847
where: short stacking energy: -52.064
Base-Backbone interact. energy: -0.240
local terms energy: -57.743869
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -113.338275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.338275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.338275 (E_RNA)
where:
Base-Base interactions energy: -48.596
where: short stacking energy: -47.875
Base-Backbone interact. energy: 1.985
local terms energy: -66.727762
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -130.734673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.734673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.734673 (E_RNA)
where:
Base-Base interactions energy: -73.185
where: short stacking energy: -44.806
Base-Backbone interact. energy: 0.238
local terms energy: -57.787739
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -10.716
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: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -100.248842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.248842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.248842 (E_RNA)
where:
Base-Base interactions energy: -42.915
where: short stacking energy: -42.915
Base-Backbone interact. energy: -0.053
local terms energy: -57.280748
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -6.225
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: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -89.706683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.706683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.706683 (E_RNA)
where:
Base-Base interactions energy: -34.955
where: short stacking energy: -26.914
Base-Backbone interact. energy: -0.340
local terms energy: -54.411736
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -81.722370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.722370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.722370 (E_RNA)
where:
Base-Base interactions energy: -23.962
where: short stacking energy: -20.964
Base-Backbone interact. energy: -0.024
local terms energy: -57.736914
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -87.582028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.582028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.582028 (E_RNA)
where:
Base-Base interactions energy: -36.629
where: short stacking energy: -36.104
Base-Backbone interact. energy: -2.487
local terms energy: -48.466099
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -204.357234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.357234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.357234 (E_RNA)
where:
Base-Base interactions energy: -137.779
where: short stacking energy: -56.427
Base-Backbone interact. energy: -0.080
local terms energy: -66.498889
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -11.793
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: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -212.672713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.672713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.672713 (E_RNA)
where:
Base-Base interactions energy: -136.877
where: short stacking energy: -68.021
Base-Backbone interact. energy: -0.090
local terms energy: -75.705795
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -173.002187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.002187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.002187 (E_RNA)
where:
Base-Base interactions energy: -110.867
where: short stacking energy: -49.430
Base-Backbone interact. energy: 0.213
local terms energy: -62.348095
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -180.814568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.814568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.814568 (E_RNA)
where:
Base-Base interactions energy: -115.841
where: short stacking energy: -40.616
Base-Backbone interact. energy: -0.060
local terms energy: -64.913110
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -12.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -114.451593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.451593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.451593 (E_RNA)
where:
Base-Base interactions energy: -52.829
where: short stacking energy: -49.959
Base-Backbone interact. energy: -0.007
local terms energy: -61.615589
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -118.680858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.680858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.680858 (E_RNA)
where:
Base-Base interactions energy: -68.282
where: short stacking energy: -36.875
Base-Backbone interact. energy: -0.197
local terms energy: -50.202132
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -95.059367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.059367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.059367 (E_RNA)
where:
Base-Base interactions energy: -39.789
where: short stacking energy: -35.376
Base-Backbone interact. energy: -0.124
local terms energy: -55.146691
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -9.704
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -7.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -84.303272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.303272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.303272 (E_RNA)
where:
Base-Base interactions energy: -28.215
where: short stacking energy: -28.215
Base-Backbone interact. energy: 0.104
local terms energy: -56.191750
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -5.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -85.217207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.217207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.217207 (E_RNA)
where:
Base-Base interactions energy: -26.367
where: short stacking energy: -25.395
Base-Backbone interact. energy: -0.573
local terms energy: -58.276893
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -76.932467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.932467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.932467 (E_RNA)
where:
Base-Base interactions energy: -38.018
where: short stacking energy: -38.018
Base-Backbone interact. energy: -0.336
local terms energy: -38.578163
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -7.662
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -1.980
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: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -211.233906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.233906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.233906 (E_RNA)
where:
Base-Base interactions energy: -147.906
where: short stacking energy: -56.042
Base-Backbone interact. energy: -0.258
local terms energy: -63.070024
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -8.504
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: 2, replica: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -205.549635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.549635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.549635 (E_RNA)
where:
Base-Base interactions energy: -131.585
where: short stacking energy: -69.644
Base-Backbone interact. energy: -0.119
local terms energy: -73.846148
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -182.328023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.328023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.328023 (E_RNA)
where:
Base-Base interactions energy: -110.096
where: short stacking energy: -52.514
Base-Backbone interact. energy: -0.103
local terms energy: -72.128619
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -17.277
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: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -180.224816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.224816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.224816 (E_RNA)
where:
Base-Base interactions energy: -111.169
where: short stacking energy: -57.953
Base-Backbone interact. energy: -0.208
local terms energy: -68.847574
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -15.983
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: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -113.244764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.244764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.244764 (E_RNA)
where:
Base-Base interactions energy: -47.663
where: short stacking energy: -47.663
Base-Backbone interact. energy: 0.331
local terms energy: -65.912594
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -15.767
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: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -151.498897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.498897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.498897 (E_RNA)
where:
Base-Base interactions energy: -89.664
where: short stacking energy: -52.780
Base-Backbone interact. energy: -0.193
local terms energy: -61.642263
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -6.162
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: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -90.180428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.180428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.180428 (E_RNA)
where:
Base-Base interactions energy: -48.821
where: short stacking energy: -44.072
Base-Backbone interact. energy: -0.104
local terms energy: -41.255054
where:
bonds (distance) C4'-P energy: -4.837
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -102.207829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.207829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.207829 (E_RNA)
where:
Base-Base interactions energy: -50.000
where: short stacking energy: -39.745
Base-Backbone interact. energy: -0.149
local terms energy: -52.058254
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -7.866
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: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -85.190408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.190408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.190408 (E_RNA)
where:
Base-Base interactions energy: -33.710
where: short stacking energy: -32.856
Base-Backbone interact. energy: 0.817
local terms energy: -52.297557
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -9.428
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -5.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -75.846929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.846929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.846929 (E_RNA)
where:
Base-Base interactions energy: -34.792
where: short stacking energy: -30.945
Base-Backbone interact. energy: -0.257
local terms energy: -40.797598
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -1.453
tors. eta vs tors. theta energy: -0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -210.673427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.673427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.673427 (E_RNA)
where:
Base-Base interactions energy: -142.340
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.941
local terms energy: -67.392511
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -202.833173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.833173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.833173 (E_RNA)
where:
Base-Base interactions energy: -139.902
where: short stacking energy: -56.401
Base-Backbone interact. energy: 0.139
local terms energy: -63.070497
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -8.088
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: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -191.014757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.014757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.014757 (E_RNA)
where:
Base-Base interactions energy: -115.830
where: short stacking energy: -62.320
Base-Backbone interact. energy: -0.345
local terms energy: -74.840334
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -21.163
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: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -180.464098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.464098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.464098 (E_RNA)
where:
Base-Base interactions energy: -121.539
where: short stacking energy: -48.135
Base-Backbone interact. energy: -1.143
local terms energy: -57.781883
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -140.104368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.104368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.104368 (E_RNA)
where:
Base-Base interactions energy: -85.474
where: short stacking energy: -45.139
Base-Backbone interact. energy: -0.156
local terms energy: -54.473884
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -6.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -93.499848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.499848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.499848 (E_RNA)
where:
Base-Base interactions energy: -49.459
where: short stacking energy: -31.166
Base-Backbone interact. energy: -0.706
local terms energy: -43.334971
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -113.409789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.409789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.409789 (E_RNA)
where:
Base-Base interactions energy: -58.524
where: short stacking energy: -38.773
Base-Backbone interact. energy: 0.758
local terms energy: -55.644281
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -92.679052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.679052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.679052 (E_RNA)
where:
Base-Base interactions energy: -49.414
where: short stacking energy: -41.913
Base-Backbone interact. energy: 2.475
local terms energy: -45.740599
where:
bonds (distance) C4'-P energy: -7.495
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -0.664
tors. eta vs tors. theta energy: -6.466
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: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -88.502836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.502836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.502836 (E_RNA)
where:
Base-Base interactions energy: -33.963
where: short stacking energy: -31.780
Base-Backbone interact. energy: 0.660
local terms energy: -55.200320
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -84.984417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.984417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.984417 (E_RNA)
where:
Base-Base interactions energy: -29.702
where: short stacking energy: -29.702
Base-Backbone interact. energy: -0.125
local terms energy: -55.157680
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -215.999384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.999384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.999384 (E_RNA)
where:
Base-Base interactions energy: -142.251
where: short stacking energy: -64.659
Base-Backbone interact. energy: 0.220
local terms energy: -73.968452
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -193.488433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.488433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.488433 (E_RNA)
where:
Base-Base interactions energy: -125.064
where: short stacking energy: -70.875
Base-Backbone interact. energy: -0.092
local terms energy: -68.332452
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -19.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -185.708493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.708493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.708493 (E_RNA)
where:
Base-Base interactions energy: -114.142
where: short stacking energy: -54.197
Base-Backbone interact. energy: -0.470
local terms energy: -71.096611
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -12.740
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: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -169.345187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.345187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.345187 (E_RNA)
where:
Base-Base interactions energy: -102.987
where: short stacking energy: -52.639
Base-Backbone interact. energy: -0.171
local terms energy: -66.187510
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -164.014554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.014554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.014554 (E_RNA)
where:
Base-Base interactions energy: -101.482
where: short stacking energy: -45.713
Base-Backbone interact. energy: -0.015
local terms energy: -62.517769
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -10.062
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: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -145.230790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.230790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.230790 (E_RNA)
where:
Base-Base interactions energy: -95.545
where: short stacking energy: -50.863
Base-Backbone interact. energy: -0.542
local terms energy: -49.143789
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -7.475
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -92.835841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.835841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.835841 (E_RNA)
where:
Base-Base interactions energy: -38.862
where: short stacking energy: -36.579
Base-Backbone interact. energy: -0.136
local terms energy: -53.836885
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -91.852857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.852857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.852857 (E_RNA)
where:
Base-Base interactions energy: -36.735
where: short stacking energy: -23.223
Base-Backbone interact. energy: 0.271
local terms energy: -55.388897
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -1.787
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: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -89.532443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.532443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.532443 (E_RNA)
where:
Base-Base interactions energy: -39.834
where: short stacking energy: -37.364
Base-Backbone interact. energy: -0.081
local terms energy: -49.618025
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -5.952
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: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -76.165088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.165088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.165088 (E_RNA)
where:
Base-Base interactions energy: -21.864
where: short stacking energy: -18.895
Base-Backbone interact. energy: -0.012
local terms energy: -54.288448
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -211.914069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.914069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.914069 (E_RNA)
where:
Base-Base interactions energy: -138.243
where: short stacking energy: -67.514
Base-Backbone interact. energy: -0.186
local terms energy: -73.484277
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -189.165401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.165401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.165401 (E_RNA)
where:
Base-Base interactions energy: -118.513
where: short stacking energy: -69.811
Base-Backbone interact. energy: -0.002
local terms energy: -70.650841
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -20.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -180.081418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.081418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.081418 (E_RNA)
where:
Base-Base interactions energy: -123.081
where: short stacking energy: -44.107
Base-Backbone interact. energy: -0.380
local terms energy: -56.620156
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -160.913530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.913530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.913530 (E_RNA)
where:
Base-Base interactions energy: -105.599
where: short stacking energy: -41.746
Base-Backbone interact. energy: -0.319
local terms energy: -54.995271
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -6.760
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -162.242120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.242120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.242120 (E_RNA)
where:
Base-Base interactions energy: -88.097
where: short stacking energy: -43.269
Base-Backbone interact. energy: -0.151
local terms energy: -73.994628
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -156.093039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.093039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.093039 (E_RNA)
where:
Base-Base interactions energy: -94.596
where: short stacking energy: -59.781
Base-Backbone interact. energy: 0.311
local terms energy: -61.807922
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -7.636
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: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -85.074908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.074908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.074908 (E_RNA)
where:
Base-Base interactions energy: -40.590
where: short stacking energy: -36.665
Base-Backbone interact. energy: 0.018
local terms energy: -44.503184
where:
bonds (distance) C4'-P energy: -7.334
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: 0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -91.895200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.895200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.895200 (E_RNA)
where:
Base-Base interactions energy: -34.003
where: short stacking energy: -34.003
Base-Backbone interact. energy: 0.006
local terms energy: -57.897924
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -8.602
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -87.350919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.350919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.350919 (E_RNA)
where:
Base-Base interactions energy: -31.613
where: short stacking energy: -31.613
Base-Backbone interact. energy: -0.187
local terms energy: -55.551279
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -2.901
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -88.817638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.817638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.817638 (E_RNA)
where:
Base-Base interactions energy: -38.933
where: short stacking energy: -38.933
Base-Backbone interact. energy: -0.059
local terms energy: -49.825087
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -213.150125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.150125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.150125 (E_RNA)
where:
Base-Base interactions energy: -138.698
where: short stacking energy: -68.280
Base-Backbone interact. energy: -0.046
local terms energy: -74.406141
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -18.514
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: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -188.799230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.799230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.799230 (E_RNA)
where:
Base-Base interactions energy: -125.181
where: short stacking energy: -65.457
Base-Backbone interact. energy: -0.005
local terms energy: -63.614182
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -175.295765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.295765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.295765 (E_RNA)
where:
Base-Base interactions energy: -111.934
where: short stacking energy: -49.251
Base-Backbone interact. energy: -0.012
local terms energy: -63.349641
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -11.807
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: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -153.853691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.853691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.853691 (E_RNA)
where:
Base-Base interactions energy: -97.160
where: short stacking energy: -49.461
Base-Backbone interact. energy: -0.134
local terms energy: -56.560499
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -161.625917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.625917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.625917 (E_RNA)
where:
Base-Base interactions energy: -95.160
where: short stacking energy: -42.797
Base-Backbone interact. energy: -0.069
local terms energy: -66.397762
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -11.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -159.771847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.771847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.771847 (E_RNA)
where:
Base-Base interactions energy: -108.460
where: short stacking energy: -47.635
Base-Backbone interact. energy: 0.637
local terms energy: -51.949138
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -87.227030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.227030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.227030 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -39.070
Base-Backbone interact. energy: 1.565
local terms energy: -49.722339
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -88.087704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.087704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.087704 (E_RNA)
where:
Base-Base interactions energy: -34.406
where: short stacking energy: -31.507
Base-Backbone interact. energy: -0.296
local terms energy: -53.386289
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -4.196
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: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -84.739217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.739217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.739217 (E_RNA)
where:
Base-Base interactions energy: -38.749
where: short stacking energy: -31.541
Base-Backbone interact. energy: -0.305
local terms energy: -45.685217
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -78.360043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.360043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.360043 (E_RNA)
where:
Base-Base interactions energy: -25.460
where: short stacking energy: -25.460
Base-Backbone interact. energy: -0.099
local terms energy: -52.801167
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -203.594150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.594150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.594150 (E_RNA)
where:
Base-Base interactions energy: -132.853
where: short stacking energy: -59.132
Base-Backbone interact. energy: -0.189
local terms energy: -70.551781
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -8.515
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: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -202.909742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.909742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.909742 (E_RNA)
where:
Base-Base interactions energy: -137.757
where: short stacking energy: -58.764
Base-Backbone interact. energy: -3.036
local terms energy: -62.116319
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -14.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -191.304010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.304010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.304010 (E_RNA)
where:
Base-Base interactions energy: -118.763
where: short stacking energy: -57.182
Base-Backbone interact. energy: -0.102
local terms energy: -72.438776
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -9.652
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: 4, replica: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -154.485618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.485618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.485618 (E_RNA)
where:
Base-Base interactions energy: -87.937
where: short stacking energy: -44.915
Base-Backbone interact. energy: -0.055
local terms energy: -66.493935
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -170.654600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.654600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.654600 (E_RNA)
where:
Base-Base interactions energy: -107.160
where: short stacking energy: -46.649
Base-Backbone interact. energy: -0.098
local terms energy: -63.396109
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -152.147992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.147992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.147992 (E_RNA)
where:
Base-Base interactions energy: -91.700
where: short stacking energy: -44.053
Base-Backbone interact. energy: -1.242
local terms energy: -59.206090
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -10.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -89.932781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.932781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.932781 (E_RNA)
where:
Base-Base interactions energy: -42.176
where: short stacking energy: -37.579
Base-Backbone interact. energy: 0.035
local terms energy: -47.791006
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -82.045939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.045939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.045939 (E_RNA)
where:
Base-Base interactions energy: -31.844
where: short stacking energy: -24.107
Base-Backbone interact. energy: 0.003
local terms energy: -50.204691
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -2.697
tors. eta vs tors. theta energy: -4.450
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: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -85.384677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.384677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.384677 (E_RNA)
where:
Base-Base interactions energy: -35.873
where: short stacking energy: -35.675
Base-Backbone interact. energy: -0.084
local terms energy: -49.427850
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -78.841754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.841754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.841754 (E_RNA)
where:
Base-Base interactions energy: -40.624
where: short stacking energy: -28.675
Base-Backbone interact. energy: -0.159
local terms energy: -38.059145
where:
bonds (distance) C4'-P energy: -5.117
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -214.330734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.330734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.330734 (E_RNA)
where:
Base-Base interactions energy: -142.245
where: short stacking energy: -68.191
Base-Backbone interact. energy: -0.291
local terms energy: -71.795444
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -192.828599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.828599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.828599 (E_RNA)
where:
Base-Base interactions energy: -125.305
where: short stacking energy: -67.033
Base-Backbone interact. energy: -0.005
local terms energy: -67.519414
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -8.112
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: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -184.717395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.717395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.717395 (E_RNA)
where:
Base-Base interactions energy: -130.539
where: short stacking energy: -64.550
Base-Backbone interact. energy: 2.543
local terms energy: -56.721312
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -8.320
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -8.251
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: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -150.117448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.117448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.117448 (E_RNA)
where:
Base-Base interactions energy: -87.794
where: short stacking energy: -42.133
Base-Backbone interact. energy: -0.082
local terms energy: -62.241374
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -163.373681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.373681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.373681 (E_RNA)
where:
Base-Base interactions energy: -97.843
where: short stacking energy: -47.532
Base-Backbone interact. energy: -0.041
local terms energy: -65.489828
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -10.245
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: 9
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -152.226232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.226232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.226232 (E_RNA)
where:
Base-Base interactions energy: -98.172
where: short stacking energy: -43.512
Base-Backbone interact. energy: -0.358
local terms energy: -53.696973
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -107.394000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.394000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.394000 (E_RNA)
where:
Base-Base interactions energy: -55.920
where: short stacking energy: -41.251
Base-Backbone interact. energy: -0.019
local terms energy: -51.455073
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -85.169560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.169560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.169560 (E_RNA)
where:
Base-Base interactions energy: -29.153
where: short stacking energy: -25.183
Base-Backbone interact. energy: 1.400
local terms energy: -57.416623
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -1.895
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: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -85.800506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.800506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.800506 (E_RNA)
where:
Base-Base interactions energy: -36.612
where: short stacking energy: -36.224
Base-Backbone interact. energy: -0.075
local terms energy: -49.112815
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -85.545509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.545509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.545509 (E_RNA)
where:
Base-Base interactions energy: -36.912
where: short stacking energy: -23.050
Base-Backbone interact. energy: -0.213
local terms energy: -48.421023
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: 3.263
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: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -214.418132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.418132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.418132 (E_RNA)
where:
Base-Base interactions energy: -139.813
where: short stacking energy: -65.328
Base-Backbone interact. energy: -0.012
local terms energy: -74.592824
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -17.036
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: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -198.128344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.128344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.128344 (E_RNA)
where:
Base-Base interactions energy: -133.823
where: short stacking energy: -55.836
Base-Backbone interact. energy: 0.662
local terms energy: -64.967580
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -174.599050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.599050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.599050 (E_RNA)
where:
Base-Base interactions energy: -111.854
where: short stacking energy: -51.574
Base-Backbone interact. energy: -0.295
local terms energy: -62.450709
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -9.628
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: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -186.494740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.494740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.494740 (E_RNA)
where:
Base-Base interactions energy: -117.329
where: short stacking energy: -60.753
Base-Backbone interact. energy: -1.138
local terms energy: -68.027828
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -177.263726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.263726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.263726 (E_RNA)
where:
Base-Base interactions energy: -123.349
where: short stacking energy: -48.960
Base-Backbone interact. energy: -0.077
local terms energy: -53.836944
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -9.038
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: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -133.791595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.791595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.791595 (E_RNA)
where:
Base-Base interactions energy: -80.117
where: short stacking energy: -38.650
Base-Backbone interact. energy: -0.890
local terms energy: -52.784721
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -97.628716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.628716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.628716 (E_RNA)
where:
Base-Base interactions energy: -45.783
where: short stacking energy: -36.296
Base-Backbone interact. energy: 1.121
local terms energy: -52.966927
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -90.411650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.411650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.411650 (E_RNA)
where:
Base-Base interactions energy: -33.776
where: short stacking energy: -33.776
Base-Backbone interact. energy: -0.029
local terms energy: -56.606232
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -8.848
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -76.243499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.243499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.243499 (E_RNA)
where:
Base-Base interactions energy: -33.338
where: short stacking energy: -22.490
Base-Backbone interact. energy: -0.415
local terms energy: -42.490562
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -8.510
flat angles C4'-P-C4' energy: -6.945
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -77.329289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.329289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.329289 (E_RNA)
where:
Base-Base interactions energy: -26.903
where: short stacking energy: -25.905
Base-Backbone interact. energy: -0.196
local terms energy: -50.229982
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -210.629916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.629916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.629916 (E_RNA)
where:
Base-Base interactions energy: -137.599
where: short stacking energy: -61.839
Base-Backbone interact. energy: -0.974
local terms energy: -72.056990
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -13.240
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: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -202.802631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.802631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.802631 (E_RNA)
where:
Base-Base interactions energy: -134.230
where: short stacking energy: -61.975
Base-Backbone interact. energy: -0.007
local terms energy: -68.566122
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -11.192
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: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -173.204697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.204697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.204697 (E_RNA)
where:
Base-Base interactions energy: -107.955
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.008
local terms energy: -65.241040
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -13.907
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: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -177.133315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.133315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.133315 (E_RNA)
where:
Base-Base interactions energy: -118.270
where: short stacking energy: -59.512
Base-Backbone interact. energy: -1.838
local terms energy: -57.026036
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -168.435543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.435543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.435543 (E_RNA)
where:
Base-Base interactions energy: -96.987
where: short stacking energy: -47.672
Base-Backbone interact. energy: 0.047
local terms energy: -71.495400
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -107.519007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.519007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.519007 (E_RNA)
where:
Base-Base interactions energy: -48.594
where: short stacking energy: -43.310
Base-Backbone interact. energy: -1.409
local terms energy: -57.516162
where:
bonds (distance) C4'-P energy: -7.776
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -123.878047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.878047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.878047 (E_RNA)
where:
Base-Base interactions energy: -66.889
where: short stacking energy: -41.550
Base-Backbone interact. energy: -0.018
local terms energy: -56.970734
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -99.575689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.575689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.575689 (E_RNA)
where:
Base-Base interactions energy: -43.070
where: short stacking energy: -26.047
Base-Backbone interact. energy: -0.084
local terms energy: -56.421769
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -89.989724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.989724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.989724 (E_RNA)
where:
Base-Base interactions energy: -38.723
where: short stacking energy: -29.698
Base-Backbone interact. energy: 0.048
local terms energy: -51.314942
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -87.690822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.690822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.690822 (E_RNA)
where:
Base-Base interactions energy: -25.564
where: short stacking energy: -25.564
Base-Backbone interact. energy: -0.088
local terms energy: -62.038999
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -10.702
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: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -210.343144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.343144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.343144 (E_RNA)
where:
Base-Base interactions energy: -141.367
where: short stacking energy: -64.424
Base-Backbone interact. energy: -0.337
local terms energy: -68.638946
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -15.016
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: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -201.402733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.402733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.402733 (E_RNA)
where:
Base-Base interactions energy: -128.210
where: short stacking energy: -71.703
Base-Backbone interact. energy: -0.157
local terms energy: -73.036362
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -179.343383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.343383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.343383 (E_RNA)
where:
Base-Base interactions energy: -110.281
where: short stacking energy: -60.386
Base-Backbone interact. energy: -0.000
local terms energy: -69.062359
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -189.171044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.171044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.171044 (E_RNA)
where:
Base-Base interactions energy: -119.468
where: short stacking energy: -59.995
Base-Backbone interact. energy: -0.023
local terms energy: -69.680597
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -169.011051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.011051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.011051 (E_RNA)
where:
Base-Base interactions energy: -102.236
where: short stacking energy: -55.659
Base-Backbone interact. energy: -0.078
local terms energy: -66.697866
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -93.796592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.796592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.796592 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -33.650
Base-Backbone interact. energy: -0.127
local terms energy: -59.077889
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -4.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -95.454525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.454525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.454525 (E_RNA)
where:
Base-Base interactions energy: -42.136
where: short stacking energy: -29.669
Base-Backbone interact. energy: 0.546
local terms energy: -53.864682
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -4.832
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: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -92.051054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.051054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.051054 (E_RNA)
where:
Base-Base interactions energy: -38.782
where: short stacking energy: -31.959
Base-Backbone interact. energy: -0.085
local terms energy: -53.184323
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -78.171437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.171437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.171437 (E_RNA)
where:
Base-Base interactions energy: -29.199
where: short stacking energy: -24.210
Base-Backbone interact. energy: 0.230
local terms energy: -49.202713
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -85.092655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.092655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.092655 (E_RNA)
where:
Base-Base interactions energy: -32.982
where: short stacking energy: -29.456
Base-Backbone interact. energy: -0.585
local terms energy: -51.526531
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -208.863097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.863097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.863097 (E_RNA)
where:
Base-Base interactions energy: -144.874
where: short stacking energy: -73.447
Base-Backbone interact. energy: -0.001
local terms energy: -63.988317
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -8.423
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -195.872999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.872999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.872999 (E_RNA)
where:
Base-Base interactions energy: -127.765
where: short stacking energy: -47.653
Base-Backbone interact. energy: -0.078
local terms energy: -68.029161
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -195.447755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.447755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.447755 (E_RNA)
where:
Base-Base interactions energy: -129.803
where: short stacking energy: -68.583
Base-Backbone interact. energy: 0.608
local terms energy: -66.252317
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -17.976
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: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -186.111746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.111746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.111746 (E_RNA)
where:
Base-Base interactions energy: -116.533
where: short stacking energy: -69.148
Base-Backbone interact. energy: 1.592
local terms energy: -71.170294
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -170.682958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.682958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.682958 (E_RNA)
where:
Base-Base interactions energy: -102.769
where: short stacking energy: -56.903
Base-Backbone interact. energy: -0.003
local terms energy: -67.911433
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -9.519
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -10.272
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: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -94.001983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.001983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.001983 (E_RNA)
where:
Base-Base interactions energy: -44.989
where: short stacking energy: -38.268
Base-Backbone interact. energy: -0.152
local terms energy: -48.861315
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -117.349528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.349528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.349528 (E_RNA)
where:
Base-Base interactions energy: -50.497
where: short stacking energy: -46.600
Base-Backbone interact. energy: -0.792
local terms energy: -66.060783
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -9.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -87.680776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.680776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.680776 (E_RNA)
where:
Base-Base interactions energy: -39.062
where: short stacking energy: -27.522
Base-Backbone interact. energy: -0.279
local terms energy: -48.340227
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -90.317941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.317941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.317941 (E_RNA)
where:
Base-Base interactions energy: -45.933
where: short stacking energy: -33.747
Base-Backbone interact. energy: -0.212
local terms energy: -44.173028
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -94.058254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.058254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.058254 (E_RNA)
where:
Base-Base interactions energy: -39.519
where: short stacking energy: -37.098
Base-Backbone interact. energy: -0.047
local terms energy: -54.491708
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -206.550081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.550081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.550081 (E_RNA)
where:
Base-Base interactions energy: -129.996
where: short stacking energy: -68.219
Base-Backbone interact. energy: 0.193
local terms energy: -76.746782
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -18.661
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: 2, replica: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -202.494127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.494127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.494127 (E_RNA)
where:
Base-Base interactions energy: -129.704
where: short stacking energy: -53.830
Base-Backbone interact. energy: -0.052
local terms energy: -72.738690
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -11.157
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: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -211.638893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.638893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.638893 (E_RNA)
where:
Base-Base interactions energy: -147.163
where: short stacking energy: -66.249
Base-Backbone interact. energy: -0.218
local terms energy: -64.257737
where:
bonds (distance) C4'-P energy: -6.398
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -12.007
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: 4, replica: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -164.729922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.729922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.729922 (E_RNA)
where:
Base-Base interactions energy: -89.018
where: short stacking energy: -47.727
Base-Backbone interact. energy: -0.141
local terms energy: -75.570432
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -174.521599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.521599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.521599 (E_RNA)
where:
Base-Base interactions energy: -118.766
where: short stacking energy: -56.912
Base-Backbone interact. energy: 0.496
local terms energy: -56.251520
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -12.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -112.532796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.532796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.532796 (E_RNA)
where:
Base-Base interactions energy: -49.443
where: short stacking energy: -49.443
Base-Backbone interact. energy: -0.001
local terms energy: -63.089304
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -12.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -108.801668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.801668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.801668 (E_RNA)
where:
Base-Base interactions energy: -49.743
where: short stacking energy: -45.816
Base-Backbone interact. energy: -0.001
local terms energy: -59.057657
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -82.123420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.123420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.123420 (E_RNA)
where:
Base-Base interactions energy: -36.105
where: short stacking energy: -36.105
Base-Backbone interact. energy: -0.093
local terms energy: -45.925418
where:
bonds (distance) C4'-P energy: -7.599
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -8.633
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -89.462359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.462359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.462359 (E_RNA)
where:
Base-Base interactions energy: -26.270
where: short stacking energy: -25.671
Base-Backbone interact. energy: -0.464
local terms energy: -62.729045
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -10.572
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: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -75.932486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.932486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.932486 (E_RNA)
where:
Base-Base interactions energy: -28.201
where: short stacking energy: -28.201
Base-Backbone interact. energy: -0.010
local terms energy: -47.721360
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -209.894482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.894482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.894482 (E_RNA)
where:
Base-Base interactions energy: -133.684
where: short stacking energy: -77.713
Base-Backbone interact. energy: -0.003
local terms energy: -76.207903
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -9.943
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -14.221
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: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -215.651652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.651652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.651652 (E_RNA)
where:
Base-Base interactions energy: -149.704
where: short stacking energy: -59.733
Base-Backbone interact. energy: -0.956
local terms energy: -64.991187
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -9.651
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: 3, replica: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -186.947068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.947068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.947068 (E_RNA)
where:
Base-Base interactions energy: -114.269
where: short stacking energy: -51.478
Base-Backbone interact. energy: -0.089
local terms energy: -72.589861
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -176.835748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.835748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.835748 (E_RNA)
where:
Base-Base interactions energy: -109.682
where: short stacking energy: -45.056
Base-Backbone interact. energy: -0.087
local terms energy: -67.067420
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -166.066026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.066026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.066026 (E_RNA)
where:
Base-Base interactions energy: -98.136
where: short stacking energy: -50.515
Base-Backbone interact. energy: -0.068
local terms energy: -67.861723
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -95.003027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.003027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.003027 (E_RNA)
where:
Base-Base interactions energy: -38.358
where: short stacking energy: -28.812
Base-Backbone interact. energy: -0.067
local terms energy: -56.578000
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -101.824815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.824815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.824815 (E_RNA)
where:
Base-Base interactions energy: -47.962
where: short stacking energy: -46.247
Base-Backbone interact. energy: -0.111
local terms energy: -53.751430
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -10.867
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: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -86.685835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.685835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.685835 (E_RNA)
where:
Base-Base interactions energy: -31.831
where: short stacking energy: -29.867
Base-Backbone interact. energy: -0.259
local terms energy: -54.596444
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -87.458700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.458700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.458700 (E_RNA)
where:
Base-Base interactions energy: -44.253
where: short stacking energy: -31.837
Base-Backbone interact. energy: 1.151
local terms energy: -44.356535
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -84.068741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.068741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.068741 (E_RNA)
where:
Base-Base interactions energy: -41.046
where: short stacking energy: -41.046
Base-Backbone interact. energy: -0.108
local terms energy: -42.915271
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -5.011
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -6.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -213.298240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.298240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.298240 (E_RNA)
where:
Base-Base interactions energy: -142.380
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.895
local terms energy: -70.023861
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -13.108
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: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -196.055894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.055894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.055894 (E_RNA)
where:
Base-Base interactions energy: -124.418
where: short stacking energy: -63.734
Base-Backbone interact. energy: -0.014
local terms energy: -71.623908
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -20.843
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: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -185.688439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.688439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.688439 (E_RNA)
where:
Base-Base interactions energy: -115.424
where: short stacking energy: -54.212
Base-Backbone interact. energy: -0.106
local terms energy: -70.157763
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -171.054034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.054034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.054034 (E_RNA)
where:
Base-Base interactions energy: -115.927
where: short stacking energy: -57.716
Base-Backbone interact. energy: -0.025
local terms energy: -55.102134
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -4.391
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: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -154.732757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.732757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.732757 (E_RNA)
where:
Base-Base interactions energy: -94.887
where: short stacking energy: -43.602
Base-Backbone interact. energy: 1.176
local terms energy: -61.021723
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -11.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -103.529706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.529706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.529706 (E_RNA)
where:
Base-Base interactions energy: -48.749
where: short stacking energy: -44.223
Base-Backbone interact. energy: 0.615
local terms energy: -55.396308
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -6.335
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: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -90.238935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.238935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.238935 (E_RNA)
where:
Base-Base interactions energy: -33.870
where: short stacking energy: -27.691
Base-Backbone interact. energy: -0.168
local terms energy: -56.201655
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -4.720
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: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -96.909275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.909275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.909275 (E_RNA)
where:
Base-Base interactions energy: -50.214
where: short stacking energy: -20.980
Base-Backbone interact. energy: -1.020
local terms energy: -45.675906
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -4.868
tors. eta vs tors. theta energy: 0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -81.672825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.672825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.672825 (E_RNA)
where:
Base-Base interactions energy: -30.873
where: short stacking energy: -30.873
Base-Backbone interact. energy: -0.092
local terms energy: -50.708041
where:
bonds (distance) C4'-P energy: -6.937
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -69.880515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.880515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.880515 (E_RNA)
where:
Base-Base interactions energy: -26.501
where: short stacking energy: -21.521
Base-Backbone interact. energy: -0.354
local terms energy: -43.024950
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -7.379
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -203.029283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.029283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.029283 (E_RNA)
where:
Base-Base interactions energy: -132.602
where: short stacking energy: -64.063
Base-Backbone interact. energy: -0.324
local terms energy: -70.102891
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -188.014340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.014340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.014340 (E_RNA)
where:
Base-Base interactions energy: -135.246
where: short stacking energy: -51.700
Base-Backbone interact. energy: -0.175
local terms energy: -52.593382
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -6.280
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: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -191.309174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.309174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.309174 (E_RNA)
where:
Base-Base interactions energy: -122.924
where: short stacking energy: -51.246
Base-Backbone interact. energy: -0.807
local terms energy: -67.578589
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -11.527
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: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -182.028407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.028407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.028407 (E_RNA)
where:
Base-Base interactions energy: -114.421
where: short stacking energy: -51.317
Base-Backbone interact. energy: -0.183
local terms energy: -67.424742
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -157.964341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.964341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.964341 (E_RNA)
where:
Base-Base interactions energy: -99.174
where: short stacking energy: -45.817
Base-Backbone interact. energy: -0.006
local terms energy: -58.785046
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -110.477332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.477332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.477332 (E_RNA)
where:
Base-Base interactions energy: -48.783
where: short stacking energy: -40.087
Base-Backbone interact. energy: -0.238
local terms energy: -61.455739
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -9.490
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: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -94.181453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.181453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.181453 (E_RNA)
where:
Base-Base interactions energy: -33.115
where: short stacking energy: -30.048
Base-Backbone interact. energy: -0.102
local terms energy: -60.964746
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -3.513
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -85.012777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.012777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.012777 (E_RNA)
where:
Base-Base interactions energy: -29.538
where: short stacking energy: -28.401
Base-Backbone interact. energy: -0.369
local terms energy: -55.106375
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -94.356487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.356487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.356487 (E_RNA)
where:
Base-Base interactions energy: -48.374
where: short stacking energy: -18.268
Base-Backbone interact. energy: -0.494
local terms energy: -45.488380
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: 4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -80.528205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.528205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.528205 (E_RNA)
where:
Base-Base interactions energy: -31.314
where: short stacking energy: -24.480
Base-Backbone interact. energy: -0.297
local terms energy: -48.917567
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -9.339
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -198.056464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.056464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.056464 (E_RNA)
where:
Base-Base interactions energy: -126.569
where: short stacking energy: -58.555
Base-Backbone interact. energy: -0.001
local terms energy: -71.486209
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -9.369
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: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -200.616082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.616082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.616082 (E_RNA)
where:
Base-Base interactions energy: -126.504
where: short stacking energy: -56.194
Base-Backbone interact. energy: -0.731
local terms energy: -73.381605
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -184.443698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.443698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.443698 (E_RNA)
where:
Base-Base interactions energy: -110.779
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.086
local terms energy: -73.578429
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -190.076700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.076700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.076700 (E_RNA)
where:
Base-Base interactions energy: -124.606
where: short stacking energy: -59.512
Base-Backbone interact. energy: -0.186
local terms energy: -65.284607
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -10.095
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: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -162.333581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.333581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.333581 (E_RNA)
where:
Base-Base interactions energy: -106.566
where: short stacking energy: -51.521
Base-Backbone interact. energy: -0.059
local terms energy: -55.708705
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -6.818
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -101.586352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.586352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.586352 (E_RNA)
where:
Base-Base interactions energy: -38.417
where: short stacking energy: -36.159
Base-Backbone interact. energy: -0.072
local terms energy: -63.097220
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -94.351640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.351640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.351640 (E_RNA)
where:
Base-Base interactions energy: -32.288
where: short stacking energy: -27.590
Base-Backbone interact. energy: -0.417
local terms energy: -61.647013
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -8.932
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: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -83.227060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.227060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.227060 (E_RNA)
where:
Base-Base interactions energy: -34.185
where: short stacking energy: -30.337
Base-Backbone interact. energy: -0.826
local terms energy: -48.216431
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -121.923813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.923813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.923813 (E_RNA)
where:
Base-Base interactions energy: -70.458
where: short stacking energy: -38.391
Base-Backbone interact. energy: -0.060
local terms energy: -51.405510
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -6.873
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: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -80.317537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.317537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.317537 (E_RNA)
where:
Base-Base interactions energy: -32.105
where: short stacking energy: -24.032
Base-Backbone interact. energy: -0.283
local terms energy: -47.928998
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: 0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -203.619449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.619449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.619449 (E_RNA)
where:
Base-Base interactions energy: -122.905
where: short stacking energy: -68.588
Base-Backbone interact. energy: -0.214
local terms energy: -80.499894
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -208.147153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.147153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.147153 (E_RNA)
where:
Base-Base interactions energy: -135.635
where: short stacking energy: -67.081
Base-Backbone interact. energy: -0.115
local terms energy: -72.397072
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -14.940
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: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -172.563646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.563646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.563646 (E_RNA)
where:
Base-Base interactions energy: -111.036
where: short stacking energy: -55.347
Base-Backbone interact. energy: -0.019
local terms energy: -61.508229
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -181.161359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.161359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.161359 (E_RNA)
where:
Base-Base interactions energy: -103.453
where: short stacking energy: -54.977
Base-Backbone interact. energy: -0.595
local terms energy: -77.113328
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -162.171964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.171964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.171964 (E_RNA)
where:
Base-Base interactions energy: -103.262
where: short stacking energy: -53.777
Base-Backbone interact. energy: 0.194
local terms energy: -59.104204
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -148.835612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.835612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.835612 (E_RNA)
where:
Base-Base interactions energy: -95.809
where: short stacking energy: -57.605
Base-Backbone interact. energy: -0.055
local terms energy: -52.971555
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -5.132
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -9.218
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: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -100.962533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.962533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.962533 (E_RNA)
where:
Base-Base interactions energy: -38.871
where: short stacking energy: -34.554
Base-Backbone interact. energy: -0.101
local terms energy: -61.990448
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -105.549593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.549593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.549593 (E_RNA)
where:
Base-Base interactions energy: -55.856
where: short stacking energy: -26.054
Base-Backbone interact. energy: -0.208
local terms energy: -49.485422
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -83.478393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.478393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.478393 (E_RNA)
where:
Base-Base interactions energy: -32.932
where: short stacking energy: -26.109
Base-Backbone interact. energy: -0.024
local terms energy: -50.522266
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -73.266521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.266521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.266521 (E_RNA)
where:
Base-Base interactions energy: -33.579
where: short stacking energy: -19.402
Base-Backbone interact. energy: 1.789
local terms energy: -41.476722
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: 2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -198.295574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.295574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.295574 (E_RNA)
where:
Base-Base interactions energy: -121.138
where: short stacking energy: -58.475
Base-Backbone interact. energy: -0.002
local terms energy: -77.155932
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -12.852
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: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -197.757468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.757468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.757468 (E_RNA)
where:
Base-Base interactions energy: -123.466
where: short stacking energy: -58.940
Base-Backbone interact. energy: -0.504
local terms energy: -73.787937
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -17.072
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: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -187.808022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.808022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.808022 (E_RNA)
where:
Base-Base interactions energy: -115.214
where: short stacking energy: -61.015
Base-Backbone interact. energy: -0.004
local terms energy: -72.590032
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -177.022535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.022535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.022535 (E_RNA)
where:
Base-Base interactions energy: -111.115
where: short stacking energy: -61.470
Base-Backbone interact. energy: -0.121
local terms energy: -65.786255
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -17.211
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: 5, replica: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -168.944438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.944438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.944438 (E_RNA)
where:
Base-Base interactions energy: -100.975
where: short stacking energy: -55.808
Base-Backbone interact. energy: -0.119
local terms energy: -67.851053
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -12.240
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: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -148.291414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.291414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.291414 (E_RNA)
where:
Base-Base interactions energy: -92.989
where: short stacking energy: -50.477
Base-Backbone interact. energy: -0.393
local terms energy: -54.908599
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -11.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -85.266441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.266441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.266441 (E_RNA)
where:
Base-Base interactions energy: -33.069
where: short stacking energy: -33.069
Base-Backbone interact. energy: -0.032
local terms energy: -52.165613
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -4.972
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: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -78.315316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.315316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.315316 (E_RNA)
where:
Base-Base interactions energy: -31.452
where: short stacking energy: -19.531
Base-Backbone interact. energy: -0.145
local terms energy: -46.718751
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: 0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -90.541161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.541161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.541161 (E_RNA)
where:
Base-Base interactions energy: -37.867
where: short stacking energy: -29.967
Base-Backbone interact. energy: -2.002
local terms energy: -50.672582
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -84.922547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.922547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.922547 (E_RNA)
where:
Base-Base interactions energy: -36.732
where: short stacking energy: -33.662
Base-Backbone interact. energy: -1.772
local terms energy: -46.418940
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -3.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -192.721040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.721040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.721040 (E_RNA)
where:
Base-Base interactions energy: -115.138
where: short stacking energy: -71.019
Base-Backbone interact. energy: -0.053
local terms energy: -77.530638
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -211.317566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.317566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.317566 (E_RNA)
where:
Base-Base interactions energy: -140.347
where: short stacking energy: -65.965
Base-Backbone interact. energy: 1.515
local terms energy: -72.485103
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -174.175743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.175743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.175743 (E_RNA)
where:
Base-Base interactions energy: -104.416
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.093
local terms energy: -69.667196
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -19.642
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: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -177.905899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.905899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.905899 (E_RNA)
where:
Base-Base interactions energy: -119.296
where: short stacking energy: -53.857
Base-Backbone interact. energy: -1.262
local terms energy: -57.348510
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -8.861
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: 5, replica: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -149.834590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.834590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.834590 (E_RNA)
where:
Base-Base interactions energy: -92.916
where: short stacking energy: -42.329
Base-Backbone interact. energy: -0.276
local terms energy: -56.642883
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -173.285391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.285391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.285391 (E_RNA)
where:
Base-Base interactions energy: -102.765
where: short stacking energy: -40.930
Base-Backbone interact. energy: -0.039
local terms energy: -70.481375
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -93.974548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.974548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.974548 (E_RNA)
where:
Base-Base interactions energy: -39.001
where: short stacking energy: -27.527
Base-Backbone interact. energy: -0.120
local terms energy: -54.853824
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -88.552930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.552930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.552930 (E_RNA)
where:
Base-Base interactions energy: -36.009
where: short stacking energy: -32.388
Base-Backbone interact. energy: 0.233
local terms energy: -52.777288
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -78.650780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.650780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.650780 (E_RNA)
where:
Base-Base interactions energy: -28.004
where: short stacking energy: -25.728
Base-Backbone interact. energy: 0.464
local terms energy: -51.111315
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -5.041
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: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -69.984721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.984721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.984721 (E_RNA)
where:
Base-Base interactions energy: -32.663
where: short stacking energy: -29.172
Base-Backbone interact. energy: 0.403
local terms energy: -37.724966
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -1.555
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -217.090383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.090383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.090383 (E_RNA)
where:
Base-Base interactions energy: -142.699
where: short stacking energy: -67.993
Base-Backbone interact. energy: -0.010
local terms energy: -74.380657
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -9.655
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: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -208.998532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.998532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.998532 (E_RNA)
where:
Base-Base interactions energy: -148.579
where: short stacking energy: -58.443
Base-Backbone interact. energy: 0.652
local terms energy: -61.071857
where:
bonds (distance) C4'-P energy: -8.455
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -6.445
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: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -170.583355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.583355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.583355 (E_RNA)
where:
Base-Base interactions energy: -106.153
where: short stacking energy: -49.275
Base-Backbone interact. energy: -0.279
local terms energy: -64.151399
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -9.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -197.619117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.619117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.619117 (E_RNA)
where:
Base-Base interactions energy: -130.688
where: short stacking energy: -55.199
Base-Backbone interact. energy: -1.047
local terms energy: -65.883573
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -16.842
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: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -187.258779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.258779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.258779 (E_RNA)
where:
Base-Base interactions energy: -128.830
where: short stacking energy: -50.961
Base-Backbone interact. energy: -0.104
local terms energy: -58.324218
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -14.999
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: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -149.412302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.412302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.412302 (E_RNA)
where:
Base-Base interactions energy: -89.976
where: short stacking energy: -52.793
Base-Backbone interact. energy: -0.005
local terms energy: -59.430945
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -92.499740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.499740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.499740 (E_RNA)
where:
Base-Base interactions energy: -33.324
where: short stacking energy: -32.847
Base-Backbone interact. energy: -0.117
local terms energy: -59.058532
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -7.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -88.185911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.185911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.185911 (E_RNA)
where:
Base-Base interactions energy: -38.457
where: short stacking energy: -38.431
Base-Backbone interact. energy: -0.034
local terms energy: -49.694808
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -84.863951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.863951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.863951 (E_RNA)
where:
Base-Base interactions energy: -41.329
where: short stacking energy: -15.781
Base-Backbone interact. energy: -0.041
local terms energy: -43.493910
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -2.389
tors. eta vs tors. theta energy: 1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -82.351048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.351048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.351048 (E_RNA)
where:
Base-Base interactions energy: -29.937
where: short stacking energy: -29.937
Base-Backbone interact. energy: -0.008
local terms energy: -52.405699
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -5.590
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: 189
Temperature: 0.900000
Total energy: -214.320759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.320759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.320759 (E_RNA)
where:
Base-Base interactions energy: -146.707
where: short stacking energy: -70.401
Base-Backbone interact. energy: -0.415
local terms energy: -67.198624
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -204.770032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.770032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.770032 (E_RNA)
where:
Base-Base interactions energy: -137.672
where: short stacking energy: -58.487
Base-Backbone interact. energy: -0.127
local terms energy: -66.971128
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -14.830
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: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -173.076466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.076466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.076466 (E_RNA)
where:
Base-Base interactions energy: -111.056
where: short stacking energy: -53.788
Base-Backbone interact. energy: -0.176
local terms energy: -61.844405
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -193.313052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.313052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.313052 (E_RNA)
where:
Base-Base interactions energy: -132.790
where: short stacking energy: -54.721
Base-Backbone interact. energy: -0.325
local terms energy: -60.197524
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -172.925379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.925379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.925379 (E_RNA)
where:
Base-Base interactions energy: -111.087
where: short stacking energy: -37.499
Base-Backbone interact. energy: -0.287
local terms energy: -61.550736
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -8.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -156.222015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.222015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.222015 (E_RNA)
where:
Base-Base interactions energy: -100.195
where: short stacking energy: -42.514
Base-Backbone interact. energy: 0.099
local terms energy: -56.125782
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -8.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -103.326670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.326670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.326670 (E_RNA)
where:
Base-Base interactions energy: -42.152
where: short stacking energy: -41.827
Base-Backbone interact. energy: -0.053
local terms energy: -61.121078
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -11.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -94.477512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.477512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.477512 (E_RNA)
where:
Base-Base interactions energy: -45.030
where: short stacking energy: -37.503
Base-Backbone interact. energy: -0.063
local terms energy: -49.384858
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -6.731
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: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -119.356094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.356094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.356094 (E_RNA)
where:
Base-Base interactions energy: -73.188
where: short stacking energy: -33.072
Base-Backbone interact. energy: -0.590
local terms energy: -45.577580
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -5.261
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -7.888
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: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -79.385124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.385124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.385124 (E_RNA)
where:
Base-Base interactions energy: -31.291
where: short stacking energy: -31.291
Base-Backbone interact. energy: -0.802
local terms energy: -47.292098
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -219.922866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.922866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.922866 (E_RNA)
where:
Base-Base interactions energy: -148.610
where: short stacking energy: -68.408
Base-Backbone interact. energy: -0.070
local terms energy: -71.243012
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -9.808
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: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -202.386831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.386831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.386831 (E_RNA)
where:
Base-Base interactions energy: -136.070
where: short stacking energy: -64.805
Base-Backbone interact. energy: -0.139
local terms energy: -66.177565
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -13.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -192.998518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.998518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.998518 (E_RNA)
where:
Base-Base interactions energy: -125.095
where: short stacking energy: -47.702
Base-Backbone interact. energy: -0.843
local terms energy: -67.060788
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -10.814
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: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -181.396033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.396033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.396033 (E_RNA)
where:
Base-Base interactions energy: -113.807
where: short stacking energy: -58.686
Base-Backbone interact. energy: -0.879
local terms energy: -66.709586
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -8.967
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: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -172.442501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.442501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.442501 (E_RNA)
where:
Base-Base interactions energy: -103.914
where: short stacking energy: -56.053
Base-Backbone interact. energy: -0.057
local terms energy: -68.471564
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -148.920786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.920786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.920786 (E_RNA)
where:
Base-Base interactions energy: -90.811
where: short stacking energy: -40.645
Base-Backbone interact. energy: 0.171
local terms energy: -58.280090
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -8.433
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -101.668204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.668204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.668204 (E_RNA)
where:
Base-Base interactions energy: -46.652
where: short stacking energy: -26.569
Base-Backbone interact. energy: -0.031
local terms energy: -54.985172
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -83.240952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.240952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.240952 (E_RNA)
where:
Base-Base interactions energy: -36.538
where: short stacking energy: -35.775
Base-Backbone interact. energy: -0.160
local terms energy: -46.542759
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: 1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -111.036718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.036718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.036718 (E_RNA)
where:
Base-Base interactions energy: -62.646
where: short stacking energy: -30.533
Base-Backbone interact. energy: -0.556
local terms energy: -47.834941
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -70.599885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.599885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.599885 (E_RNA)
where:
Base-Base interactions energy: -21.591
where: short stacking energy: -21.397
Base-Backbone interact. energy: -0.146
local terms energy: -48.862246
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -10.832
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: 2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -211.420218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.420218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.420218 (E_RNA)
where:
Base-Base interactions energy: -134.693
where: short stacking energy: -67.790
Base-Backbone interact. energy: -0.614
local terms energy: -76.112924
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -17.412
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: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -193.268151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.268151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.268151 (E_RNA)
where:
Base-Base interactions energy: -127.262
where: short stacking energy: -60.704
Base-Backbone interact. energy: -0.046
local terms energy: -65.960089
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -15.186
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: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -202.597682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.597682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.597682 (E_RNA)
where:
Base-Base interactions energy: -131.718
where: short stacking energy: -66.498
Base-Backbone interact. energy: -0.488
local terms energy: -70.392272
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -6.132
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: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -181.898150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.898150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.898150 (E_RNA)
where:
Base-Base interactions energy: -116.354
where: short stacking energy: -60.169
Base-Backbone interact. energy: -0.006
local terms energy: -65.537914
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -178.689303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.689303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.689303 (E_RNA)
where:
Base-Base interactions energy: -107.834
where: short stacking energy: -51.719
Base-Backbone interact. energy: -0.520
local terms energy: -70.335489
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -151.298985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.298985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.298985 (E_RNA)
where:
Base-Base interactions energy: -97.376
where: short stacking energy: -59.885
Base-Backbone interact. energy: -0.203
local terms energy: -53.720378
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -5.543
flat angles P-C4'-P energy: -9.372
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: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -104.878470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.878470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.878470 (E_RNA)
where:
Base-Base interactions energy: -44.452
where: short stacking energy: -41.702
Base-Backbone interact. energy: -0.214
local terms energy: -60.211889
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -9.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -86.840318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.840318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.840318 (E_RNA)
where:
Base-Base interactions energy: -44.725
where: short stacking energy: -38.919
Base-Backbone interact. energy: -0.951
local terms energy: -41.163750
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -9.505
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -1.337
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: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -77.738906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.738906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.738906 (E_RNA)
where:
Base-Base interactions energy: -24.161
where: short stacking energy: -23.428
Base-Backbone interact. energy: 2.426
local terms energy: -56.003484
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -70.431573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.431573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.431573 (E_RNA)
where:
Base-Base interactions energy: -24.671
where: short stacking energy: -18.207
Base-Backbone interact. energy: -0.178
local terms energy: -45.582398
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -217.396313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.396313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.396313 (E_RNA)
where:
Base-Base interactions energy: -137.021
where: short stacking energy: -75.830
Base-Backbone interact. energy: -0.010
local terms energy: -80.365818
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -199.884142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.884142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.884142 (E_RNA)
where:
Base-Base interactions energy: -121.630
where: short stacking energy: -68.156
Base-Backbone interact. energy: -0.183
local terms energy: -78.071093
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -195.941365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.941365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.941365 (E_RNA)
where:
Base-Base interactions energy: -116.197
where: short stacking energy: -62.578
Base-Backbone interact. energy: -0.049
local terms energy: -79.696186
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -18.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -171.494073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.494073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.494073 (E_RNA)
where:
Base-Base interactions energy: -109.548
where: short stacking energy: -45.890
Base-Backbone interact. energy: -0.129
local terms energy: -61.817074
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -9.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -155.242365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.242365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.242365 (E_RNA)
where:
Base-Base interactions energy: -93.514
where: short stacking energy: -40.325
Base-Backbone interact. energy: -0.235
local terms energy: -61.492534
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -10.326
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: 192
Temperature: 1.150000
Total energy: -157.572073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.572073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.572073 (E_RNA)
where:
Base-Base interactions energy: -96.694
where: short stacking energy: -56.425
Base-Backbone interact. energy: -1.181
local terms energy: -59.696332
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -95.099797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.099797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.099797 (E_RNA)
where:
Base-Base interactions energy: -45.511
where: short stacking energy: -38.720
Base-Backbone interact. energy: -0.186
local terms energy: -49.402841
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -93.392550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.392550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.392550 (E_RNA)
where:
Base-Base interactions energy: -40.779
where: short stacking energy: -26.146
Base-Backbone interact. energy: 1.257
local terms energy: -53.870412
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -5.131
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: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -87.147882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.147882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.147882 (E_RNA)
where:
Base-Base interactions energy: -29.595
where: short stacking energy: -28.049
Base-Backbone interact. energy: -0.711
local terms energy: -56.842369
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -78.766849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.766849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.766849 (E_RNA)
where:
Base-Base interactions energy: -26.082
where: short stacking energy: -25.224
Base-Backbone interact. energy: -0.228
local terms energy: -52.457527
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -205.087846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.087846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.087846 (E_RNA)
where:
Base-Base interactions energy: -123.389
where: short stacking energy: -65.243
Base-Backbone interact. energy: -1.946
local terms energy: -79.753033
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -12.154
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: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -183.210511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.210511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.210511 (E_RNA)
where:
Base-Base interactions energy: -110.930
where: short stacking energy: -64.408
Base-Backbone interact. energy: -0.016
local terms energy: -72.264743
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -183.563257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.563257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.563257 (E_RNA)
where:
Base-Base interactions energy: -113.355
where: short stacking energy: -46.481
Base-Backbone interact. energy: -0.751
local terms energy: -69.457073
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -11.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -193.063820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.063820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.063820 (E_RNA)
where:
Base-Base interactions energy: -129.391
where: short stacking energy: -49.082
Base-Backbone interact. energy: 1.357
local terms energy: -65.030179
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -13.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -147.951415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.951415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.951415 (E_RNA)
where:
Base-Base interactions energy: -87.857
where: short stacking energy: -53.474
Base-Backbone interact. energy: -0.679
local terms energy: -59.414904
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -158.728357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.728357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.728357 (E_RNA)
where:
Base-Base interactions energy: -97.428
where: short stacking energy: -51.919
Base-Backbone interact. energy: -0.372
local terms energy: -60.928873
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -8.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -101.982197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.982197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.982197 (E_RNA)
where:
Base-Base interactions energy: -39.929
where: short stacking energy: -39.929
Base-Backbone interact. energy: -0.453
local terms energy: -61.600234
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -12.945
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: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -86.641394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.641394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.641394 (E_RNA)
where:
Base-Base interactions energy: -34.260
where: short stacking energy: -30.575
Base-Backbone interact. energy: -0.013
local terms energy: -52.368397
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -1.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -84.859811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.859811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.859811 (E_RNA)
where:
Base-Base interactions energy: -32.515
where: short stacking energy: -24.914
Base-Backbone interact. energy: -0.785
local terms energy: -51.560024
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -95.554937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.554937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.554937 (E_RNA)
where:
Base-Base interactions energy: -37.162
where: short stacking energy: -37.124
Base-Backbone interact. energy: -0.181
local terms energy: -58.211998
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -4.330
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: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -181.245225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.245225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.245225 (E_RNA)
where:
Base-Base interactions energy: -111.207
where: short stacking energy: -63.451
Base-Backbone interact. energy: -0.023
local terms energy: -70.015665
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -198.407073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.407073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.407073 (E_RNA)
where:
Base-Base interactions energy: -125.486
where: short stacking energy: -63.330
Base-Backbone interact. energy: -0.243
local terms energy: -72.678512
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -191.768928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.768928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.768928 (E_RNA)
where:
Base-Base interactions energy: -127.610
where: short stacking energy: -57.850
Base-Backbone interact. energy: -0.124
local terms energy: -64.035410
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -179.265916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.265916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.265916 (E_RNA)
where:
Base-Base interactions energy: -112.939
where: short stacking energy: -48.382
Base-Backbone interact. energy: -0.133
local terms energy: -66.192993
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -154.600661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.600661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.600661 (E_RNA)
where:
Base-Base interactions energy: -89.181
where: short stacking energy: -48.442
Base-Backbone interact. energy: 0.593
local terms energy: -66.012483
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -10.019
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: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -121.413778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.413778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.413778 (E_RNA)
where:
Base-Base interactions energy: -66.760
where: short stacking energy: -36.850
Base-Backbone interact. energy: -0.170
local terms energy: -54.484127
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -8.335
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: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -94.210752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.210752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.210752 (E_RNA)
where:
Base-Base interactions energy: -39.801
where: short stacking energy: -37.469
Base-Backbone interact. energy: -0.049
local terms energy: -54.360030
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -84.443422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.443422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.443422 (E_RNA)
where:
Base-Base interactions energy: -37.637
where: short stacking energy: -33.538
Base-Backbone interact. energy: 0.009
local terms energy: -46.815240
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: 1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -93.525712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.525712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.525712 (E_RNA)
where:
Base-Base interactions energy: -34.556
where: short stacking energy: -34.279
Base-Backbone interact. energy: -0.094
local terms energy: -58.875219
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -7.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -81.339981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.339981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.339981 (E_RNA)
where:
Base-Base interactions energy: -35.822
where: short stacking energy: -24.676
Base-Backbone interact. energy: -0.196
local terms energy: -45.322738
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: 0.353
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: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -185.176315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.176315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.176315 (E_RNA)
where:
Base-Base interactions energy: -104.778
where: short stacking energy: -66.492
Base-Backbone interact. energy: -0.001
local terms energy: -80.397431
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -23.043
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: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -206.182454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.182454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.182454 (E_RNA)
where:
Base-Base interactions energy: -130.872
where: short stacking energy: -57.569
Base-Backbone interact. energy: 0.121
local terms energy: -75.431585
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -193.250020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.250020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.250020 (E_RNA)
where:
Base-Base interactions energy: -130.259
where: short stacking energy: -60.416
Base-Backbone interact. energy: -0.716
local terms energy: -62.275374
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -8.086
flat angles P-C4'-P energy: -10.645
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: 4, replica: 9
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -160.130011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.130011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.130011 (E_RNA)
where:
Base-Base interactions energy: -93.541
where: short stacking energy: -57.749
Base-Backbone interact. energy: -0.538
local terms energy: -66.050918
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -9.220
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: 195
Temperature: 1.100000
Total energy: -177.243835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.243835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.243835 (E_RNA)
where:
Base-Base interactions energy: -112.206
where: short stacking energy: -49.621
Base-Backbone interact. energy: -0.124
local terms energy: -64.913665
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -11.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -158.747010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.747010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.747010 (E_RNA)
where:
Base-Base interactions energy: -90.153
where: short stacking energy: -48.126
Base-Backbone interact. energy: -0.093
local terms energy: -68.501458
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -8.656
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: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -89.093427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.093427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.093427 (E_RNA)
where:
Base-Base interactions energy: -37.364
where: short stacking energy: -29.973
Base-Backbone interact. energy: -1.866
local terms energy: -49.862977
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -8.612
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -111.627210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.627210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.627210 (E_RNA)
where:
Base-Base interactions energy: -58.194
where: short stacking energy: -38.985
Base-Backbone interact. energy: -0.831
local terms energy: -52.601636
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -7.109
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -11.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -81.647803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.647803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.647803 (E_RNA)
where:
Base-Base interactions energy: -31.306
where: short stacking energy: -22.922
Base-Backbone interact. energy: -0.268
local terms energy: -50.073901
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: 3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -78.085378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.085378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.085378 (E_RNA)
where:
Base-Base interactions energy: -29.004
where: short stacking energy: -25.221
Base-Backbone interact. energy: 0.308
local terms energy: -49.389396
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -204.830461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.830461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.830461 (E_RNA)
where:
Base-Base interactions energy: -137.973
where: short stacking energy: -60.726
Base-Backbone interact. energy: 0.817
local terms energy: -67.674555
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -13.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -171.057183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.057183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.057183 (E_RNA)
where:
Base-Base interactions energy: -100.823
where: short stacking energy: -60.179
Base-Backbone interact. energy: -0.116
local terms energy: -70.117919
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -186.841322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.841322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.841322 (E_RNA)
where:
Base-Base interactions energy: -120.654
where: short stacking energy: -48.357
Base-Backbone interact. energy: -0.420
local terms energy: -65.767137
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -12.816
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: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -143.835009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.835009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.835009 (E_RNA)
where:
Base-Base interactions energy: -85.905
where: short stacking energy: -36.005
Base-Backbone interact. energy: -0.214
local terms energy: -57.715228
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -164.082896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.082896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.082896 (E_RNA)
where:
Base-Base interactions energy: -100.504
where: short stacking energy: -53.695
Base-Backbone interact. energy: -0.394
local terms energy: -63.184529
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -158.106402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.106402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.106402 (E_RNA)
where:
Base-Base interactions energy: -95.386
where: short stacking energy: -61.928
Base-Backbone interact. energy: 0.318
local terms energy: -63.038553
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -95.343212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.343212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.343212 (E_RNA)
where:
Base-Base interactions energy: -45.266
where: short stacking energy: -29.107
Base-Backbone interact. energy: -1.572
local terms energy: -48.505007
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -83.831287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.831287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.831287 (E_RNA)
where:
Base-Base interactions energy: -33.305
where: short stacking energy: -22.902
Base-Backbone interact. energy: 0.176
local terms energy: -50.702370
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -79.582589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.582589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.582589 (E_RNA)
where:
Base-Base interactions energy: -30.341
where: short stacking energy: -30.341
Base-Backbone interact. energy: -0.016
local terms energy: -49.225637
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -75.593785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.593785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.593785 (E_RNA)
where:
Base-Base interactions energy: -34.778
where: short stacking energy: -33.912
Base-Backbone interact. energy: -0.215
local terms energy: -40.600443
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -5.609
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -207.337655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.337655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.337655 (E_RNA)
where:
Base-Base interactions energy: -139.260
where: short stacking energy: -63.360
Base-Backbone interact. energy: -0.199
local terms energy: -67.877944
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -196.024915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.024915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.024915 (E_RNA)
where:
Base-Base interactions energy: -133.399
where: short stacking energy: -52.484
Base-Backbone interact. energy: -0.053
local terms energy: -62.573090
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -13.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -175.124643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.124643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.124643 (E_RNA)
where:
Base-Base interactions energy: -109.608
where: short stacking energy: -61.446
Base-Backbone interact. energy: -0.106
local terms energy: -65.410349
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -10.469
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: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -154.508038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.508038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.508038 (E_RNA)
where:
Base-Base interactions energy: -87.683
where: short stacking energy: -43.331
Base-Backbone interact. energy: -0.730
local terms energy: -66.095121
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -9.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -161.988329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.988329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.988329 (E_RNA)
where:
Base-Base interactions energy: -103.290
where: short stacking energy: -52.062
Base-Backbone interact. energy: -0.020
local terms energy: -58.677675
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -7.391
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -15.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -94.882293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.882293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.882293 (E_RNA)
where:
Base-Base interactions energy: -40.307
where: short stacking energy: -37.077
Base-Backbone interact. energy: -0.101
local terms energy: -54.474941
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -112.219900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.219900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.219900 (E_RNA)
where:
Base-Base interactions energy: -71.009
where: short stacking energy: -35.444
Base-Backbone interact. energy: 0.875
local terms energy: -42.085777
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -2.013
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -82.597341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.597341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.597341 (E_RNA)
where:
Base-Base interactions energy: -24.200
where: short stacking energy: -25.000
Base-Backbone interact. energy: -0.107
local terms energy: -58.290299
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -77.813208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.813208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.813208 (E_RNA)
where:
Base-Base interactions energy: -27.122
where: short stacking energy: -23.203
Base-Backbone interact. energy: -0.384
local terms energy: -50.307518
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -82.865348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.865348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.865348 (E_RNA)
where:
Base-Base interactions energy: -47.130
where: short stacking energy: -44.610
Base-Backbone interact. energy: 0.912
local terms energy: -36.647300
where:
bonds (distance) C4'-P energy: -5.549
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -6.858
flat angles P-C4'-P energy: -3.094
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -200.593933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.593933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.593933 (E_RNA)
where:
Base-Base interactions energy: -137.977
where: short stacking energy: -52.019
Base-Backbone interact. energy: 0.194
local terms energy: -62.810799
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -9.469
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: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -200.399245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.399245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.399245 (E_RNA)
where:
Base-Base interactions energy: -133.539
where: short stacking energy: -48.332
Base-Backbone interact. energy: -0.161
local terms energy: -66.699516
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -9.472
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: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -168.040388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.040388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.040388 (E_RNA)
where:
Base-Base interactions energy: -102.522
where: short stacking energy: -52.916
Base-Backbone interact. energy: 0.344
local terms energy: -65.862548
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -169.216863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.216863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.216863 (E_RNA)
where:
Base-Base interactions energy: -101.740
where: short stacking energy: -62.194
Base-Backbone interact. energy: -0.159
local terms energy: -67.317954
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -14.922
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: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -188.186559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.186559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.186559 (E_RNA)
where:
Base-Base interactions energy: -118.419
where: short stacking energy: -59.434
Base-Backbone interact. energy: -0.003
local terms energy: -69.764718
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -18.203
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: 198
Temperature: 1.150000
Total energy: -101.110888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.110888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.110888 (E_RNA)
where:
Base-Base interactions energy: -39.554
where: short stacking energy: -39.554
Base-Backbone interact. energy: -0.014
local terms energy: -61.543185
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -9.969
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: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -103.790942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.790942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.790942 (E_RNA)
where:
Base-Base interactions energy: -49.463
where: short stacking energy: -40.858
Base-Backbone interact. energy: -0.630
local terms energy: -53.698364
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -88.734838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.734838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.734838 (E_RNA)
where:
Base-Base interactions energy: -33.750
where: short stacking energy: -33.750
Base-Backbone interact. energy: -0.148
local terms energy: -54.836839
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -81.406048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.406048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.406048 (E_RNA)
where:
Base-Base interactions energy: -32.619
where: short stacking energy: -30.304
Base-Backbone interact. energy: -0.085
local terms energy: -48.702601
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -1.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -75.393902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.393902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.393902 (E_RNA)
where:
Base-Base interactions energy: -24.848
where: short stacking energy: -21.007
Base-Backbone interact. energy: -0.057
local terms energy: -50.488809
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -204.162737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.162737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.162737 (E_RNA)
where:
Base-Base interactions energy: -138.106
where: short stacking energy: -58.672
Base-Backbone interact. energy: 0.354
local terms energy: -66.410108
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -10.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -182.724567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.724567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.724567 (E_RNA)
where:
Base-Base interactions energy: -108.499
where: short stacking energy: -56.893
Base-Backbone interact. energy: -0.001
local terms energy: -74.225119
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -192.087774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.087774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.087774 (E_RNA)
where:
Base-Base interactions energy: -129.058
where: short stacking energy: -56.683
Base-Backbone interact. energy: 0.654
local terms energy: -63.684406
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -174.768446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.768446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.768446 (E_RNA)
where:
Base-Base interactions energy: -110.751
where: short stacking energy: -55.896
Base-Backbone interact. energy: -0.068
local terms energy: -63.950010
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -15.451
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: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -159.438870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.438870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.438870 (E_RNA)
where:
Base-Base interactions energy: -96.368
where: short stacking energy: -56.258
Base-Backbone interact. energy: -0.136
local terms energy: -62.934627
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -9.546
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: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -112.586351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.586351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.586351 (E_RNA)
where:
Base-Base interactions energy: -61.403
where: short stacking energy: -34.887
Base-Backbone interact. energy: 1.263
local terms energy: -52.446570
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -9.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -93.530314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.530314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.530314 (E_RNA)
where:
Base-Base interactions energy: -41.459
where: short stacking energy: -34.479
Base-Backbone interact. energy: -0.189
local terms energy: -51.882152
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -93.935490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.935490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.935490 (E_RNA)
where:
Base-Base interactions energy: -42.759
where: short stacking energy: -26.628
Base-Backbone interact. energy: -0.629
local terms energy: -50.546787
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -77.109989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.109989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.109989 (E_RNA)
where:
Base-Base interactions energy: -28.333
where: short stacking energy: -28.333
Base-Backbone interact. energy: -0.327
local terms energy: -48.449646
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: 2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -74.783886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.783886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.783886 (E_RNA)
where:
Base-Base interactions energy: -26.427
where: short stacking energy: -20.985
Base-Backbone interact. energy: -0.111
local terms energy: -48.245351
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -8.721
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -207.881656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.881656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.881656 (E_RNA)
where:
Base-Base interactions energy: -139.768
where: short stacking energy: -58.551
Base-Backbone interact. energy: 0.229
local terms energy: -68.343273
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -183.649912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.649912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.649912 (E_RNA)
where:
Base-Base interactions energy: -113.386
where: short stacking energy: -54.821
Base-Backbone interact. energy: -0.082
local terms energy: -70.182367
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -202.239544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.239544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.239544 (E_RNA)
where:
Base-Base interactions energy: -127.943
where: short stacking energy: -58.217
Base-Backbone interact. energy: -0.503
local terms energy: -73.793152
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -15.133
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: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -159.360952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.360952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.360952 (E_RNA)
where:
Base-Base interactions energy: -93.114
where: short stacking energy: -44.113
Base-Backbone interact. energy: 0.331
local terms energy: -66.577792
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -167.858900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.858900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.858900 (E_RNA)
where:
Base-Base interactions energy: -102.319
where: short stacking energy: -54.197
Base-Backbone interact. energy: -0.314
local terms energy: -65.225898
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -10.539
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: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -93.826502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.826502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.826502 (E_RNA)
where:
Base-Base interactions energy: -37.993
where: short stacking energy: -33.943
Base-Backbone interact. energy: -0.118
local terms energy: -55.715376
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -130.185918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.185918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.185918 (E_RNA)
where:
Base-Base interactions energy: -68.788
where: short stacking energy: -37.546
Base-Backbone interact. energy: -0.005
local terms energy: -61.393186
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -100.622423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.622423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.622423 (E_RNA)
where:
Base-Base interactions energy: -45.422
where: short stacking energy: -28.192
Base-Backbone interact. energy: -0.081
local terms energy: -55.119475
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -74.346781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.346781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.346781 (E_RNA)
where:
Base-Base interactions energy: -28.812
where: short stacking energy: -24.161
Base-Backbone interact. energy: -2.998
local terms energy: -42.537022
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -76.834802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.834802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.834802 (E_RNA)
where:
Base-Base interactions energy: -28.215
where: short stacking energy: -23.980
Base-Backbone interact. energy: -0.286
local terms energy: -48.333150
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -205.763375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.763375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.763375 (E_RNA)
where:
Base-Base interactions energy: -131.308
where: short stacking energy: -62.562
Base-Backbone interact. energy: -0.017
local terms energy: -74.438460
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -187.330475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.330475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.330475 (E_RNA)
where:
Base-Base interactions energy: -121.815
where: short stacking energy: -57.454
Base-Backbone interact. energy: 0.056
local terms energy: -65.571617
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -11.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -178.899702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.899702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.899702 (E_RNA)
where:
Base-Base interactions energy: -112.833
where: short stacking energy: -51.229
Base-Backbone interact. energy: -1.449
local terms energy: -64.618039
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -8.345
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: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -167.776572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.776572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.776572 (E_RNA)
where:
Base-Base interactions energy: -100.600
where: short stacking energy: -56.761
Base-Backbone interact. energy: -0.169
local terms energy: -67.007996
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -13.409
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: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -142.286731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.286731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.286731 (E_RNA)
where:
Base-Base interactions energy: -90.737
where: short stacking energy: -41.887
Base-Backbone interact. energy: -0.051
local terms energy: -51.498305
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -124.217727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.217727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.217727 (E_RNA)
where:
Base-Base interactions energy: -68.279
where: short stacking energy: -44.653
Base-Backbone interact. energy: -0.013
local terms energy: -55.925983
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -88.954785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.954785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.954785 (E_RNA)
where:
Base-Base interactions energy: -33.486
where: short stacking energy: -28.415
Base-Backbone interact. energy: -0.384
local terms energy: -55.084790
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -91.974706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.974706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.974706 (E_RNA)
where:
Base-Base interactions energy: -51.200
where: short stacking energy: -48.054
Base-Backbone interact. energy: -0.011
local terms energy: -40.763976
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -7.614
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -2.375
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -84.411892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.411892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.411892 (E_RNA)
where:
Base-Base interactions energy: -39.001
where: short stacking energy: -23.909
Base-Backbone interact. energy: -0.518
local terms energy: -44.892179
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -2.556
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: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -77.467784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.467784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.467784 (E_RNA)
where:
Base-Base interactions energy: -31.497
where: short stacking energy: -23.156
Base-Backbone interact. energy: -0.184
local terms energy: -45.786827
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -206.778914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.778914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.778914 (E_RNA)
where:
Base-Base interactions energy: -138.405
where: short stacking energy: -67.041
Base-Backbone interact. energy: -0.080
local terms energy: -68.293276
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -14.397
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: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -189.386131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.386131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.386131 (E_RNA)
where:
Base-Base interactions energy: -123.426
where: short stacking energy: -61.200
Base-Backbone interact. energy: -0.134
local terms energy: -65.825377
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -180.180803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.180803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.180803 (E_RNA)
where:
Base-Base interactions energy: -111.522
where: short stacking energy: -53.607
Base-Backbone interact. energy: -0.688
local terms energy: -67.971080
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -15.595
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: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -164.910361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.910361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.910361 (E_RNA)
where:
Base-Base interactions energy: -102.298
where: short stacking energy: -45.159
Base-Backbone interact. energy: -0.114
local terms energy: -62.498721
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -149.689010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.689010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.689010 (E_RNA)
where:
Base-Base interactions energy: -93.213
where: short stacking energy: -46.456
Base-Backbone interact. energy: -0.415
local terms energy: -56.061146
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -8.410
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: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -97.961911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.961911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.961911 (E_RNA)
where:
Base-Base interactions energy: -41.650
where: short stacking energy: -24.634
Base-Backbone interact. energy: -1.364
local terms energy: -54.948278
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -98.322379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.322379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.322379 (E_RNA)
where:
Base-Base interactions energy: -42.915
where: short stacking energy: -35.007
Base-Backbone interact. energy: -0.248
local terms energy: -55.159691
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -5.878
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: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -94.519554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.519554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.519554 (E_RNA)
where:
Base-Base interactions energy: -31.405
where: short stacking energy: -25.028
Base-Backbone interact. energy: -0.217
local terms energy: -62.897734
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -9.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -83.261203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.261203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.261203 (E_RNA)
where:
Base-Base interactions energy: -34.690
where: short stacking energy: -30.206
Base-Backbone interact. energy: 0.999
local terms energy: -49.570308
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -90.143927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.143927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.143927 (E_RNA)
where:
Base-Base interactions energy: -33.219
where: short stacking energy: -32.609
Base-Backbone interact. energy: -0.390
local terms energy: -56.535063
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -206.101439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.101439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.101439 (E_RNA)
where:
Base-Base interactions energy: -142.106
where: short stacking energy: -66.860
Base-Backbone interact. energy: -0.108
local terms energy: -63.887603
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -9.698
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: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -188.073216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.073216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.073216 (E_RNA)
where:
Base-Base interactions energy: -114.757
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.067
local terms energy: -73.249303
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -190.036421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.036421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.036421 (E_RNA)
where:
Base-Base interactions energy: -130.101
where: short stacking energy: -55.214
Base-Backbone interact. energy: -0.079
local terms energy: -59.855955
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -4.447
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: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -170.341599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.341599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.341599 (E_RNA)
where:
Base-Base interactions energy: -105.385
where: short stacking energy: -53.602
Base-Backbone interact. energy: -1.615
local terms energy: -63.341889
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -13.399
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: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -160.306954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.306954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.306954 (E_RNA)
where:
Base-Base interactions energy: -93.053
where: short stacking energy: -47.852
Base-Backbone interact. energy: -0.054
local terms energy: -67.199607
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -12.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -101.894942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.894942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.894942 (E_RNA)
where:
Base-Base interactions energy: -49.362
where: short stacking energy: -35.687
Base-Backbone interact. energy: -0.202
local terms energy: -52.330175
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -5.725
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -114.983071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.983071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.983071 (E_RNA)
where:
Base-Base interactions energy: -62.314
where: short stacking energy: -35.856
Base-Backbone interact. energy: -0.177
local terms energy: -52.492742
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -6.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -95.408756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.408756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.408756 (E_RNA)
where:
Base-Base interactions energy: -41.112
where: short stacking energy: -39.256
Base-Backbone interact. energy: 0.375
local terms energy: -54.671476
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -78.277299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.277299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.277299 (E_RNA)
where:
Base-Base interactions energy: -40.224
where: short stacking energy: -29.189
Base-Backbone interact. energy: -0.210
local terms energy: -37.842681
where:
bonds (distance) C4'-P energy: -7.219
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -76.575828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.575828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.575828 (E_RNA)
where:
Base-Base interactions energy: -27.279
where: short stacking energy: -24.656
Base-Backbone interact. energy: -0.169
local terms energy: -49.127735
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -208.098652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.098652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.098652 (E_RNA)
where:
Base-Base interactions energy: -135.635
where: short stacking energy: -57.958
Base-Backbone interact. energy: 0.613
local terms energy: -73.077013
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -15.884
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: 204
Temperature: 0.950000
Total energy: -176.919293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.919293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.919293 (E_RNA)
where:
Base-Base interactions energy: -108.051
where: short stacking energy: -47.517
Base-Backbone interact. energy: -0.161
local terms energy: -68.707004
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -11.119
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: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -181.500645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.500645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.500645 (E_RNA)
where:
Base-Base interactions energy: -106.827
where: short stacking energy: -54.162
Base-Backbone interact. energy: -0.551
local terms energy: -74.122154
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -185.794776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.794776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.794776 (E_RNA)
where:
Base-Base interactions energy: -120.317
where: short stacking energy: -44.478
Base-Backbone interact. energy: -0.095
local terms energy: -65.383507
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -183.962130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.962130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.962130 (E_RNA)
where:
Base-Base interactions energy: -119.275
where: short stacking energy: -62.949
Base-Backbone interact. energy: -0.354
local terms energy: -64.333308
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -16.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -106.960021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.960021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.960021 (E_RNA)
where:
Base-Base interactions energy: -47.465
where: short stacking energy: -44.802
Base-Backbone interact. energy: -0.913
local terms energy: -58.582414
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -99.437794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.437794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.437794 (E_RNA)
where:
Base-Base interactions energy: -48.425
where: short stacking energy: -37.215
Base-Backbone interact. energy: 1.863
local terms energy: -52.875567
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -101.710144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.710144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.710144 (E_RNA)
where:
Base-Base interactions energy: -42.626
where: short stacking energy: -42.626
Base-Backbone interact. energy: -0.130
local terms energy: -58.954043
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -82.741646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.741646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.741646 (E_RNA)
where:
Base-Base interactions energy: -36.897
where: short stacking energy: -29.303
Base-Backbone interact. energy: -0.139
local terms energy: -45.705685
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: 0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -81.926441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.926441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.926441 (E_RNA)
where:
Base-Base interactions energy: -29.175
where: short stacking energy: -29.166
Base-Backbone interact. energy: 1.319
local terms energy: -54.070605
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -213.094027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.094027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.094027 (E_RNA)
where:
Base-Base interactions energy: -146.976
where: short stacking energy: -63.137
Base-Backbone interact. energy: -0.045
local terms energy: -66.073377
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -14.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -193.823849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.823849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.823849 (E_RNA)
where:
Base-Base interactions energy: -129.969
where: short stacking energy: -59.408
Base-Backbone interact. energy: -0.263
local terms energy: -63.591565
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -10.285
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: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -198.153556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.153556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.153556 (E_RNA)
where:
Base-Base interactions energy: -127.821
where: short stacking energy: -53.588
Base-Backbone interact. energy: -0.040
local terms energy: -70.292923
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -10.294
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: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -194.090966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.090966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.090966 (E_RNA)
where:
Base-Base interactions energy: -122.566
where: short stacking energy: -60.278
Base-Backbone interact. energy: 0.722
local terms energy: -72.247708
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -10.897
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: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -169.720490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.720490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.720490 (E_RNA)
where:
Base-Base interactions energy: -112.559
where: short stacking energy: -56.598
Base-Backbone interact. energy: -0.022
local terms energy: -57.139949
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -9.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -105.802941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.802941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.802941 (E_RNA)
where:
Base-Base interactions energy: -45.869
where: short stacking energy: -45.869
Base-Backbone interact. energy: -0.009
local terms energy: -59.924872
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -112.154471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.154471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.154471 (E_RNA)
where:
Base-Base interactions energy: -49.231
where: short stacking energy: -47.320
Base-Backbone interact. energy: -0.112
local terms energy: -62.811341
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -9.608
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -10.849
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: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -101.076285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.076285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.076285 (E_RNA)
where:
Base-Base interactions energy: -46.303
where: short stacking energy: -46.303
Base-Backbone interact. energy: -0.348
local terms energy: -54.425999
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -9.192
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: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -78.232083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.232083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.232083 (E_RNA)
where:
Base-Base interactions energy: -31.809
where: short stacking energy: -26.385
Base-Backbone interact. energy: -0.293
local terms energy: -46.130312
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -78.110182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.110182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.110182 (E_RNA)
where:
Base-Base interactions energy: -42.498
where: short stacking energy: -25.909
Base-Backbone interact. energy: -1.343
local terms energy: -34.269412
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -7.562
flat angles P-C4'-P energy: -2.422
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -205.091285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.091285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.091285 (E_RNA)
where:
Base-Base interactions energy: -138.653
where: short stacking energy: -65.002
Base-Backbone interact. energy: 0.331
local terms energy: -66.769528
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -191.303815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.303815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.303815 (E_RNA)
where:
Base-Base interactions energy: -121.523
where: short stacking energy: -56.163
Base-Backbone interact. energy: 0.153
local terms energy: -69.934126
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -10.414
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: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -189.244534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.244534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.244534 (E_RNA)
where:
Base-Base interactions energy: -122.950
where: short stacking energy: -50.501
Base-Backbone interact. energy: -0.296
local terms energy: -65.998914
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -5.334
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: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -172.810262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.810262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.810262 (E_RNA)
where:
Base-Base interactions energy: -110.833
where: short stacking energy: -38.015
Base-Backbone interact. energy: 0.300
local terms energy: -62.277803
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -179.353025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.353025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.353025 (E_RNA)
where:
Base-Base interactions energy: -121.248
where: short stacking energy: -52.817
Base-Backbone interact. energy: 0.670
local terms energy: -58.774369
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -115.726161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.726161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.726161 (E_RNA)
where:
Base-Base interactions energy: -47.941
where: short stacking energy: -40.129
Base-Backbone interact. energy: -0.008
local terms energy: -67.777176
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -109.926275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.926275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.926275 (E_RNA)
where:
Base-Base interactions energy: -46.443
where: short stacking energy: -42.040
Base-Backbone interact. energy: -0.014
local terms energy: -63.468570
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -96.446820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.446820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.446820 (E_RNA)
where:
Base-Base interactions energy: -41.565
where: short stacking energy: -41.565
Base-Backbone interact. energy: -0.029
local terms energy: -54.853049
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -6.515
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: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -87.977716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.977716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.977716 (E_RNA)
where:
Base-Base interactions energy: -36.342
where: short stacking energy: -23.688
Base-Backbone interact. energy: -0.142
local terms energy: -51.493871
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: 0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -89.693890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.693890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.693890 (E_RNA)
where:
Base-Base interactions energy: -50.211
where: short stacking energy: -28.324
Base-Backbone interact. energy: -0.271
local terms energy: -39.211862
where:
bonds (distance) C4'-P energy: -5.274
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -207.959985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.959985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.959985 (E_RNA)
where:
Base-Base interactions energy: -138.056
where: short stacking energy: -62.384
Base-Backbone interact. energy: -0.204
local terms energy: -69.699934
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -14.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -195.944013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.944013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.944013 (E_RNA)
where:
Base-Base interactions energy: -132.485
where: short stacking energy: -54.058
Base-Backbone interact. energy: -1.395
local terms energy: -62.063711
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -12.276
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: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -183.807316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.807316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.807316 (E_RNA)
where:
Base-Base interactions energy: -119.429
where: short stacking energy: -54.546
Base-Backbone interact. energy: -0.149
local terms energy: -64.228914
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -12.966
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: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -179.430797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.430797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.430797 (E_RNA)
where:
Base-Base interactions energy: -115.108
where: short stacking energy: -43.846
Base-Backbone interact. energy: -0.108
local terms energy: -64.214648
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -11.804
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: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -177.576865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.576865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.576865 (E_RNA)
where:
Base-Base interactions energy: -117.478
where: short stacking energy: -51.520
Base-Backbone interact. energy: 1.140
local terms energy: -61.238358
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -9.358
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: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -104.059172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.059172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.059172 (E_RNA)
where:
Base-Base interactions energy: -47.883
where: short stacking energy: -42.217
Base-Backbone interact. energy: -0.058
local terms energy: -56.118245
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -100.537391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.537391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.537391 (E_RNA)
where:
Base-Base interactions energy: -57.653
where: short stacking energy: -31.099
Base-Backbone interact. energy: -0.113
local terms energy: -42.770961
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -5.435
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -94.793884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.793884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.793884 (E_RNA)
where:
Base-Base interactions energy: -43.822
where: short stacking energy: -30.015
Base-Backbone interact. energy: -0.592
local terms energy: -50.379187
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -92.771677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.771677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.771677 (E_RNA)
where:
Base-Base interactions energy: -32.291
where: short stacking energy: -27.658
Base-Backbone interact. energy: -0.131
local terms energy: -60.349454
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -77.211019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.211019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.211019 (E_RNA)
where:
Base-Base interactions energy: -29.231
where: short stacking energy: -20.502
Base-Backbone interact. energy: -0.261
local terms energy: -47.719002
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: 0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -195.694713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.694713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.694713 (E_RNA)
where:
Base-Base interactions energy: -125.470
where: short stacking energy: -52.864
Base-Backbone interact. energy: -1.330
local terms energy: -68.894969
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -10.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -189.946568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.946568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.946568 (E_RNA)
where:
Base-Base interactions energy: -118.643
where: short stacking energy: -64.801
Base-Backbone interact. energy: -0.034
local terms energy: -71.269985
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -17.187
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: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -176.687224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.687224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.687224 (E_RNA)
where:
Base-Base interactions energy: -114.753
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.259
local terms energy: -61.675395
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -177.159814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.159814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.159814 (E_RNA)
where:
Base-Base interactions energy: -108.823
where: short stacking energy: -54.997
Base-Backbone interact. energy: -1.492
local terms energy: -66.845383
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -14.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -174.053109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.053109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.053109 (E_RNA)
where:
Base-Base interactions energy: -111.018
where: short stacking energy: -47.895
Base-Backbone interact. energy: 0.839
local terms energy: -63.873921
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -15.889
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: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -104.638947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.638947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.638947 (E_RNA)
where:
Base-Base interactions energy: -42.076
where: short stacking energy: -35.722
Base-Backbone interact. energy: -0.093
local terms energy: -62.469322
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -90.752563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.752563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.752563 (E_RNA)
where:
Base-Base interactions energy: -38.793
where: short stacking energy: -26.390
Base-Backbone interact. energy: -1.382
local terms energy: -50.577809
where:
bonds (distance) C4'-P energy: -9.036
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -84.831058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.831058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.831058 (E_RNA)
where:
Base-Base interactions energy: -36.081
where: short stacking energy: -32.398
Base-Backbone interact. energy: 0.421
local terms energy: -49.171158
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -80.309607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.309607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.309607 (E_RNA)
where:
Base-Base interactions energy: -27.196
where: short stacking energy: -20.000
Base-Backbone interact. energy: 0.629
local terms energy: -53.742713
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -80.108220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.108220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.108220 (E_RNA)
where:
Base-Base interactions energy: -32.350
where: short stacking energy: -17.265
Base-Backbone interact. energy: 1.002
local terms energy: -48.759831
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: 0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -211.680955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.680955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.680955 (E_RNA)
where:
Base-Base interactions energy: -145.699
where: short stacking energy: -47.987
Base-Backbone interact. energy: -0.243
local terms energy: -65.738456
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -191.457083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.457083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.457083 (E_RNA)
where:
Base-Base interactions energy: -123.277
where: short stacking energy: -62.616
Base-Backbone interact. energy: -0.018
local terms energy: -68.161682
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -12.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -177.343021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.343021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.343021 (E_RNA)
where:
Base-Base interactions energy: -105.866
where: short stacking energy: -68.130
Base-Backbone interact. energy: -1.068
local terms energy: -70.409054
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -17.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -181.583447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.583447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.583447 (E_RNA)
where:
Base-Base interactions energy: -111.507
where: short stacking energy: -50.344
Base-Backbone interact. energy: -0.117
local terms energy: -69.959032
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -14.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -169.237460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.237460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.237460 (E_RNA)
where:
Base-Base interactions energy: -109.851
where: short stacking energy: -46.688
Base-Backbone interact. energy: -0.046
local terms energy: -59.340508
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -8.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -103.077906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.077906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.077906 (E_RNA)
where:
Base-Base interactions energy: -45.858
where: short stacking energy: -44.120
Base-Backbone interact. energy: -0.097
local terms energy: -57.122889
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -100.428746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.428746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.428746 (E_RNA)
where:
Base-Base interactions energy: -43.742
where: short stacking energy: -44.842
Base-Backbone interact. energy: -0.249
local terms energy: -56.437406
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -85.323929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.323929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.323929 (E_RNA)
where:
Base-Base interactions energy: -32.520
where: short stacking energy: -31.425
Base-Backbone interact. energy: -0.772
local terms energy: -52.031459
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -4.917
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: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -87.755109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.755109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.755109 (E_RNA)
where:
Base-Base interactions energy: -33.256
where: short stacking energy: -33.118
Base-Backbone interact. energy: 0.304
local terms energy: -54.802740
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -82.020591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.020591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.020591 (E_RNA)
where:
Base-Base interactions energy: -31.570
where: short stacking energy: -31.570
Base-Backbone interact. energy: -0.125
local terms energy: -50.325649
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -2.990
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -218.594017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.594017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.594017 (E_RNA)
where:
Base-Base interactions energy: -150.204
where: short stacking energy: -60.618
Base-Backbone interact. energy: -1.634
local terms energy: -66.756327
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -13.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -202.779609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.779609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.779609 (E_RNA)
where:
Base-Base interactions energy: -130.054
where: short stacking energy: -62.096
Base-Backbone interact. energy: -0.019
local terms energy: -72.706636
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -12.120
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: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -186.225938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.225938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.225938 (E_RNA)
where:
Base-Base interactions energy: -110.224
where: short stacking energy: -54.612
Base-Backbone interact. energy: -0.126
local terms energy: -75.876128
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -17.373
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: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -178.242535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.242535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.242535 (E_RNA)
where:
Base-Base interactions energy: -115.407
where: short stacking energy: -59.339
Base-Backbone interact. energy: -0.334
local terms energy: -62.501941
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -184.368012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.368012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.368012 (E_RNA)
where:
Base-Base interactions energy: -125.052
where: short stacking energy: -58.004
Base-Backbone interact. energy: -0.010
local terms energy: -59.305882
where:
bonds (distance) C4'-P energy: -6.927
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -10.949
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: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -103.826927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.826927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.826927 (E_RNA)
where:
Base-Base interactions energy: -44.039
where: short stacking energy: -28.425
Base-Backbone interact. energy: -1.158
local terms energy: -58.629677
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -101.665933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.665933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.665933 (E_RNA)
where:
Base-Base interactions energy: -41.992
where: short stacking energy: -34.095
Base-Backbone interact. energy: -0.052
local terms energy: -59.621125
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -11.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -86.201015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.201015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.201015 (E_RNA)
where:
Base-Base interactions energy: -30.389
where: short stacking energy: -30.389
Base-Backbone interact. energy: -1.085
local terms energy: -54.727212
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -78.114761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.114761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.114761 (E_RNA)
where:
Base-Base interactions energy: -33.198
where: short stacking energy: -19.879
Base-Backbone interact. energy: 0.954
local terms energy: -45.870794
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -7.857
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: 0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -87.542012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.542012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.542012 (E_RNA)
where:
Base-Base interactions energy: -43.591
where: short stacking energy: -26.883
Base-Backbone interact. energy: -0.543
local terms energy: -43.407905
where:
bonds (distance) C4'-P energy: -8.305
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -7.524
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -206.863410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.863410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.863410 (E_RNA)
where:
Base-Base interactions energy: -134.101
where: short stacking energy: -66.899
Base-Backbone interact. energy: -0.503
local terms energy: -72.259415
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -15.227
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: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -195.417929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.417929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.417929 (E_RNA)
where:
Base-Base interactions energy: -120.797
where: short stacking energy: -62.142
Base-Backbone interact. energy: 0.708
local terms energy: -75.328853
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -8.143
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: 3, replica: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -190.704918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.704918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.704918 (E_RNA)
where:
Base-Base interactions energy: -121.346
where: short stacking energy: -61.634
Base-Backbone interact. energy: 2.072
local terms energy: -71.429977
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -17.275
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: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -180.080845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.080845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.080845 (E_RNA)
where:
Base-Base interactions energy: -112.512
where: short stacking energy: -46.534
Base-Backbone interact. energy: -0.416
local terms energy: -67.152942
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -169.523341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.523341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.523341 (E_RNA)
where:
Base-Base interactions energy: -110.306
where: short stacking energy: -43.315
Base-Backbone interact. energy: -0.491
local terms energy: -58.725798
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -132.674394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.674394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.674394 (E_RNA)
where:
Base-Base interactions energy: -77.076
where: short stacking energy: -47.345
Base-Backbone interact. energy: 0.816
local terms energy: -56.414456
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -8.136
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: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -106.016318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.016318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.016318 (E_RNA)
where:
Base-Base interactions energy: -51.494
where: short stacking energy: -30.311
Base-Backbone interact. energy: -0.201
local terms energy: -54.321083
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -100.531676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.531676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.531676 (E_RNA)
where:
Base-Base interactions energy: -47.897
where: short stacking energy: -33.468
Base-Backbone interact. energy: -0.003
local terms energy: -52.631468
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -4.546
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: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -82.517523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.517523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.517523 (E_RNA)
where:
Base-Base interactions energy: -33.824
where: short stacking energy: -34.124
Base-Backbone interact. energy: -0.131
local terms energy: -48.563052
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: 0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -77.654154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.654154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.654154 (E_RNA)
where:
Base-Base interactions energy: -22.488
where: short stacking energy: -22.380
Base-Backbone interact. energy: -0.741
local terms energy: -54.425353
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -203.807764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.807764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.807764 (E_RNA)
where:
Base-Base interactions energy: -130.486
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.059
local terms energy: -73.262631
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -13.948
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: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -189.792036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.792036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.792036 (E_RNA)
where:
Base-Base interactions energy: -108.005
where: short stacking energy: -63.268
Base-Backbone interact. energy: -0.082
local terms energy: -81.705249
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -19.594
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: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -181.875739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.875739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.875739 (E_RNA)
where:
Base-Base interactions energy: -112.264
where: short stacking energy: -61.647
Base-Backbone interact. energy: -0.006
local terms energy: -69.605759
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -177.551504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.551504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.551504 (E_RNA)
where:
Base-Base interactions energy: -111.799
where: short stacking energy: -60.059
Base-Backbone interact. energy: -0.001
local terms energy: -65.751726
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -179.071090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.071090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.071090 (E_RNA)
where:
Base-Base interactions energy: -117.681
where: short stacking energy: -54.249
Base-Backbone interact. energy: -0.008
local terms energy: -61.382183
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -128.513996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.513996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.513996 (E_RNA)
where:
Base-Base interactions energy: -81.315
where: short stacking energy: -37.697
Base-Backbone interact. energy: 0.286
local terms energy: -47.485002
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -7.057
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -5.495
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: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -105.505991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.505991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.505991 (E_RNA)
where:
Base-Base interactions energy: -51.696
where: short stacking energy: -35.092
Base-Backbone interact. energy: -0.044
local terms energy: -53.766160
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -111.593041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.593041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.593041 (E_RNA)
where:
Base-Base interactions energy: -57.844
where: short stacking energy: -30.002
Base-Backbone interact. energy: 2.488
local terms energy: -56.237288
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -3.557
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: 212
Temperature: 1.300000
Total energy: -85.303223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.303223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.303223 (E_RNA)
where:
Base-Base interactions energy: -39.495
where: short stacking energy: -22.839
Base-Backbone interact. energy: -0.127
local terms energy: -45.681194
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -7.498
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -3.074
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: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -77.757469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.757469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.757469 (E_RNA)
where:
Base-Base interactions energy: -27.325
where: short stacking energy: -27.325
Base-Backbone interact. energy: -0.448
local terms energy: -49.984647
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -177.031235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.031235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.031235 (E_RNA)
where:
Base-Base interactions energy: -109.090
where: short stacking energy: -63.539
Base-Backbone interact. energy: -0.071
local terms energy: -67.870661
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -13.286
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: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -190.391142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.391142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.391142 (E_RNA)
where:
Base-Base interactions energy: -113.574
where: short stacking energy: -70.254
Base-Backbone interact. energy: -0.000
local terms energy: -76.816404
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -176.843746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.843746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.843746 (E_RNA)
where:
Base-Base interactions energy: -114.605
where: short stacking energy: -60.379
Base-Backbone interact. energy: -0.201
local terms energy: -62.037844
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -12.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -179.190544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.190544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.190544 (E_RNA)
where:
Base-Base interactions energy: -110.412
where: short stacking energy: -64.146
Base-Backbone interact. energy: -0.026
local terms energy: -68.752576
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -167.080702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.080702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.080702 (E_RNA)
where:
Base-Base interactions energy: -115.776
where: short stacking energy: -54.847
Base-Backbone interact. energy: -0.730
local terms energy: -50.574861
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -8.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -118.400517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.400517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.400517 (E_RNA)
where:
Base-Base interactions energy: -64.162
where: short stacking energy: -45.220
Base-Backbone interact. energy: -0.128
local terms energy: -54.109975
where:
bonds (distance) C4'-P energy: -6.556
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -101.467459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.467459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.467459 (E_RNA)
where:
Base-Base interactions energy: -47.743
where: short stacking energy: -33.245
Base-Backbone interact. energy: 0.400
local terms energy: -54.124380
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -89.071673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.071673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.071673 (E_RNA)
where:
Base-Base interactions energy: -30.932
where: short stacking energy: -30.932
Base-Backbone interact. energy: -0.013
local terms energy: -58.126557
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -105.037286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.037286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.037286 (E_RNA)
where:
Base-Base interactions energy: -55.382
where: short stacking energy: -21.701
Base-Backbone interact. energy: -1.620
local terms energy: -48.035748
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -1.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -74.479233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.479233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.479233 (E_RNA)
where:
Base-Base interactions energy: -34.769
where: short stacking energy: -25.734
Base-Backbone interact. energy: 0.270
local terms energy: -39.980408
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -5.337
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -189.734523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.734523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.734523 (E_RNA)
where:
Base-Base interactions energy: -118.075
where: short stacking energy: -58.538
Base-Backbone interact. energy: 0.280
local terms energy: -71.939700
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -187.489387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.489387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.489387 (E_RNA)
where:
Base-Base interactions energy: -117.701
where: short stacking energy: -67.002
Base-Backbone interact. energy: -0.189
local terms energy: -69.599968
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -8.278
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: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -175.803209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.803209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.803209 (E_RNA)
where:
Base-Base interactions energy: -114.983
where: short stacking energy: -56.826
Base-Backbone interact. energy: -0.082
local terms energy: -60.737647
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -10.123
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: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -168.624611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.624611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.624611 (E_RNA)
where:
Base-Base interactions energy: -112.781
where: short stacking energy: -47.479
Base-Backbone interact. energy: -0.368
local terms energy: -55.475869
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -10.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -183.747392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.747392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.747392 (E_RNA)
where:
Base-Base interactions energy: -114.179
where: short stacking energy: -62.943
Base-Backbone interact. energy: -0.248
local terms energy: -69.320213
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -19.446
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: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -133.379111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.379111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.379111 (E_RNA)
where:
Base-Base interactions energy: -81.470
where: short stacking energy: -41.364
Base-Backbone interact. energy: -0.096
local terms energy: -51.813327
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -8.716
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -9.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -90.111346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.111346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.111346 (E_RNA)
where:
Base-Base interactions energy: -34.027
where: short stacking energy: -34.027
Base-Backbone interact. energy: -1.056
local terms energy: -55.027551
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -6.979
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: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -92.467148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.467148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.467148 (E_RNA)
where:
Base-Base interactions energy: -44.894
where: short stacking energy: -31.032
Base-Backbone interact. energy: -0.057
local terms energy: -47.516370
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -7.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -78.340177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.340177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.340177 (E_RNA)
where:
Base-Base interactions energy: -33.441
where: short stacking energy: -27.904
Base-Backbone interact. energy: 0.796
local terms energy: -45.695195
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -79.230872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.230872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.230872 (E_RNA)
where:
Base-Base interactions energy: -31.499
where: short stacking energy: -28.534
Base-Backbone interact. energy: 0.698
local terms energy: -48.430012
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -191.530821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.530821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.530821 (E_RNA)
where:
Base-Base interactions energy: -122.598
where: short stacking energy: -59.753
Base-Backbone interact. energy: -0.042
local terms energy: -68.891171
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -3.985
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -189.072825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.072825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.072825 (E_RNA)
where:
Base-Base interactions energy: -121.415
where: short stacking energy: -68.498
Base-Backbone interact. energy: -0.100
local terms energy: -67.557143
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -175.774571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.774571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.774571 (E_RNA)
where:
Base-Base interactions energy: -105.357
where: short stacking energy: -59.450
Base-Backbone interact. energy: -0.644
local terms energy: -69.773217
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -176.953616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.953616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.953616 (E_RNA)
where:
Base-Base interactions energy: -110.873
where: short stacking energy: -59.377
Base-Backbone interact. energy: -0.372
local terms energy: -65.708936
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -13.919
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: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -179.440958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.440958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.440958 (E_RNA)
where:
Base-Base interactions energy: -119.828
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.061
local terms energy: -59.551516
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -6.532
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: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -95.774752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.774752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.774752 (E_RNA)
where:
Base-Base interactions energy: -35.465
where: short stacking energy: -29.265
Base-Backbone interact. energy: -0.035
local terms energy: -60.274316
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -113.109114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.109114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.109114 (E_RNA)
where:
Base-Base interactions energy: -59.032
where: short stacking energy: -34.211
Base-Backbone interact. energy: -0.140
local terms energy: -53.937074
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -107.593214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.593214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.593214 (E_RNA)
where:
Base-Base interactions energy: -56.347
where: short stacking energy: -44.055
Base-Backbone interact. energy: 0.060
local terms energy: -51.306918
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -8.687
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: 9, replica: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -98.803041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.803041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.803041 (E_RNA)
where:
Base-Base interactions energy: -47.643
where: short stacking energy: -41.801
Base-Backbone interact. energy: -0.072
local terms energy: -51.087278
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -75.271011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.271011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.271011 (E_RNA)
where:
Base-Base interactions energy: -36.213
where: short stacking energy: -30.329
Base-Backbone interact. energy: -0.262
local terms energy: -38.796406
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: -0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -186.461086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.461086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.461086 (E_RNA)
where:
Base-Base interactions energy: -111.683
where: short stacking energy: -65.915
Base-Backbone interact. energy: -0.493
local terms energy: -74.285518
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -192.498015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.498015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.498015 (E_RNA)
where:
Base-Base interactions energy: -118.747
where: short stacking energy: -62.421
Base-Backbone interact. energy: -0.004
local terms energy: -73.747077
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -179.746297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.746297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.746297 (E_RNA)
where:
Base-Base interactions energy: -105.317
where: short stacking energy: -47.951
Base-Backbone interact. energy: -0.075
local terms energy: -74.354418
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -184.262786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.262786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.262786 (E_RNA)
where:
Base-Base interactions energy: -113.689
where: short stacking energy: -56.091
Base-Backbone interact. energy: -0.043
local terms energy: -70.530287
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -172.082754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.082754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.082754 (E_RNA)
where:
Base-Base interactions energy: -113.430
where: short stacking energy: -54.047
Base-Backbone interact. energy: -0.055
local terms energy: -58.598465
where:
bonds (distance) C4'-P energy: -5.505
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -98.286126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.286126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.286126 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -41.263
Base-Backbone interact. energy: 0.235
local terms energy: -57.651382
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -94.222047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.222047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.222047 (E_RNA)
where:
Base-Base interactions energy: -41.669
where: short stacking energy: -35.013
Base-Backbone interact. energy: -0.395
local terms energy: -52.157970
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -89.015922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.015922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.015922 (E_RNA)
where:
Base-Base interactions energy: -30.181
where: short stacking energy: -29.349
Base-Backbone interact. energy: -0.445
local terms energy: -58.390525
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -84.267260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.267260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.267260 (E_RNA)
where:
Base-Base interactions energy: -32.214
where: short stacking energy: -32.214
Base-Backbone interact. energy: -0.371
local terms energy: -51.681713
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -75.068905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.068905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.068905 (E_RNA)
where:
Base-Base interactions energy: -28.308
where: short stacking energy: -29.121
Base-Backbone interact. energy: 0.396
local terms energy: -47.157573
where:
bonds (distance) C4'-P energy: -7.989
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -200.764222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.764222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.764222 (E_RNA)
where:
Base-Base interactions energy: -123.564
where: short stacking energy: -65.657
Base-Backbone interact. energy: -0.156
local terms energy: -77.044048
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -17.986
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: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -173.277118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.277118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.277118 (E_RNA)
where:
Base-Base interactions energy: -99.798
where: short stacking energy: -59.776
Base-Backbone interact. energy: -0.057
local terms energy: -73.421674
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -183.062960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.062960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.062960 (E_RNA)
where:
Base-Base interactions energy: -113.964
where: short stacking energy: -58.374
Base-Backbone interact. energy: -0.144
local terms energy: -68.954599
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -10.847
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: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -193.254657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.254657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.254657 (E_RNA)
where:
Base-Base interactions energy: -118.521
where: short stacking energy: -57.127
Base-Backbone interact. energy: -0.339
local terms energy: -74.394569
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -154.409618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.409618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.409618 (E_RNA)
where:
Base-Base interactions energy: -91.807
where: short stacking energy: -51.274
Base-Backbone interact. energy: 0.132
local terms energy: -62.734156
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -7.998
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: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -96.588503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.588503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.588503 (E_RNA)
where:
Base-Base interactions energy: -46.456
where: short stacking energy: -37.470
Base-Backbone interact. energy: -0.239
local terms energy: -49.893748
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -97.892840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.892840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.892840 (E_RNA)
where:
Base-Base interactions energy: -47.113
where: short stacking energy: -37.720
Base-Backbone interact. energy: -0.084
local terms energy: -50.695727
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -85.133168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.133168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.133168 (E_RNA)
where:
Base-Base interactions energy: -38.647
where: short stacking energy: -34.068
Base-Backbone interact. energy: -0.789
local terms energy: -45.696768
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -3.059
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: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -91.202688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.202688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.202688 (E_RNA)
where:
Base-Base interactions energy: -42.373
where: short stacking energy: -26.696
Base-Backbone interact. energy: -0.248
local terms energy: -48.581001
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -85.933959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.933959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.933959 (E_RNA)
where:
Base-Base interactions energy: -38.778
where: short stacking energy: -27.697
Base-Backbone interact. energy: -0.704
local terms energy: -46.452517
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: 1.310
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: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -184.157643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.157643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.157643 (E_RNA)
where:
Base-Base interactions energy: -121.209
where: short stacking energy: -43.983
Base-Backbone interact. energy: -0.973
local terms energy: -61.975299
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -190.175053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.175053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.175053 (E_RNA)
where:
Base-Base interactions energy: -116.702
where: short stacking energy: -66.883
Base-Backbone interact. energy: -0.087
local terms energy: -73.386103
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -166.838681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.838681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.838681 (E_RNA)
where:
Base-Base interactions energy: -109.507
where: short stacking energy: -46.012
Base-Backbone interact. energy: 0.096
local terms energy: -57.427956
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -183.364294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.364294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.364294 (E_RNA)
where:
Base-Base interactions energy: -112.647
where: short stacking energy: -55.765
Base-Backbone interact. energy: -0.003
local terms energy: -70.714607
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -12.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -185.328425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.328425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.328425 (E_RNA)
where:
Base-Base interactions energy: -127.967
where: short stacking energy: -56.166
Base-Backbone interact. energy: 0.087
local terms energy: -57.448808
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -9.460
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -97.147766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.147766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.147766 (E_RNA)
where:
Base-Base interactions energy: -41.220
where: short stacking energy: -41.220
Base-Backbone interact. energy: -0.043
local terms energy: -55.885669
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -7.363
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: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -98.479216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.479216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.479216 (E_RNA)
where:
Base-Base interactions energy: -35.324
where: short stacking energy: -35.324
Base-Backbone interact. energy: -0.105
local terms energy: -63.050004
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -85.498744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.498744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.498744 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -30.503
Base-Backbone interact. energy: -0.202
local terms energy: -54.793599
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -9.708
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -79.331471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.331471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.331471 (E_RNA)
where:
Base-Base interactions energy: -28.738
where: short stacking energy: -28.738
Base-Backbone interact. energy: -0.287
local terms energy: -50.306534
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: 0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -76.791455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.791455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.791455 (E_RNA)
where:
Base-Base interactions energy: -38.062
where: short stacking energy: -13.346
Base-Backbone interact. energy: -0.191
local terms energy: -38.538215
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -7.139
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -0.135
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: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -186.382867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.382867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.382867 (E_RNA)
where:
Base-Base interactions energy: -112.092
where: short stacking energy: -66.810
Base-Backbone interact. energy: -0.410
local terms energy: -73.881234
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -14.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -187.949883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.949883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.949883 (E_RNA)
where:
Base-Base interactions energy: -121.531
where: short stacking energy: -70.073
Base-Backbone interact. energy: -0.147
local terms energy: -66.271842
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -9.181
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -176.367048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.367048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.367048 (E_RNA)
where:
Base-Base interactions energy: -118.494
where: short stacking energy: -54.059
Base-Backbone interact. energy: -0.065
local terms energy: -57.807789
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -186.359957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.359957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.359957 (E_RNA)
where:
Base-Base interactions energy: -120.650
where: short stacking energy: -60.701
Base-Backbone interact. energy: 0.621
local terms energy: -66.330866
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -164.263459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.263459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.263459 (E_RNA)
where:
Base-Base interactions energy: -108.868
where: short stacking energy: -51.365
Base-Backbone interact. energy: -0.668
local terms energy: -54.727594
where:
bonds (distance) C4'-P energy: -5.396
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -99.817241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.817241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.817241 (E_RNA)
where:
Base-Base interactions energy: -41.411
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.118
local terms energy: -58.288371
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -104.851675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.851675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.851675 (E_RNA)
where:
Base-Base interactions energy: -48.934
where: short stacking energy: -48.436
Base-Backbone interact. energy: -0.099
local terms energy: -55.819054
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -9.391
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: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -88.644388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.644388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.644388 (E_RNA)
where:
Base-Base interactions energy: -31.048
where: short stacking energy: -30.086
Base-Backbone interact. energy: 1.013
local terms energy: -58.608475
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -10.313
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: 9, replica: 3
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -88.827601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.827601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.827601 (E_RNA)
where:
Base-Base interactions energy: -42.187
where: short stacking energy: -33.846
Base-Backbone interact. energy: -0.789
local terms energy: -45.852139
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -8.153
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -70.071614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.071614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.071614 (E_RNA)
where:
Base-Base interactions energy: -23.475
where: short stacking energy: -17.960
Base-Backbone interact. energy: -0.317
local terms energy: -46.279633
where:
bonds (distance) C4'-P energy: -9.173
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: 2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -195.645199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.645199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.645199 (E_RNA)
where:
Base-Base interactions energy: -124.425
where: short stacking energy: -57.040
Base-Backbone interact. energy: -0.063
local terms energy: -71.157975
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -6.844
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: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -191.264503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.264503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.264503 (E_RNA)
where:
Base-Base interactions energy: -123.051
where: short stacking energy: -63.322
Base-Backbone interact. energy: 0.305
local terms energy: -68.518591
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -188.505336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.505336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.505336 (E_RNA)
where:
Base-Base interactions energy: -120.234
where: short stacking energy: -65.741
Base-Backbone interact. energy: -0.192
local terms energy: -68.079197
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -14.895
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: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -172.635293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.635293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.635293 (E_RNA)
where:
Base-Base interactions energy: -119.143
where: short stacking energy: -54.813
Base-Backbone interact. energy: -0.732
local terms energy: -52.759608
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -7.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -167.408411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.408411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.408411 (E_RNA)
where:
Base-Base interactions energy: -102.828
where: short stacking energy: -37.879
Base-Backbone interact. energy: -0.455
local terms energy: -64.126024
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -9.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -99.162211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.162211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.162211 (E_RNA)
where:
Base-Base interactions energy: -42.349
where: short stacking energy: -39.310
Base-Backbone interact. energy: -0.671
local terms energy: -56.141627
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -11.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -84.149337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.149337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.149337 (E_RNA)
where:
Base-Base interactions energy: -34.146
where: short stacking energy: -28.892
Base-Backbone interact. energy: -0.024
local terms energy: -49.978984
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -94.923528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.923528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.923528 (E_RNA)
where:
Base-Base interactions energy: -41.323
where: short stacking energy: -32.629
Base-Backbone interact. energy: -0.009
local terms energy: -53.590872
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -6.415
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -9.321
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: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -87.296167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.296167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.296167 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -34.856
Base-Backbone interact. energy: 0.356
local terms energy: -52.795650
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -80.992353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.992353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.992353 (E_RNA)
where:
Base-Base interactions energy: -43.757
where: short stacking energy: -20.459
Base-Backbone interact. energy: 0.371
local terms energy: -37.605796
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -6.381
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -194.503462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.503462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.503462 (E_RNA)
where:
Base-Base interactions energy: -122.827
where: short stacking energy: -58.693
Base-Backbone interact. energy: -0.381
local terms energy: -71.294880
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -200.878360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.878360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.878360 (E_RNA)
where:
Base-Base interactions energy: -122.612
where: short stacking energy: -71.954
Base-Backbone interact. energy: -0.064
local terms energy: -78.202384
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -191.766811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.766811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.766811 (E_RNA)
where:
Base-Base interactions energy: -129.127
where: short stacking energy: -61.512
Base-Backbone interact. energy: -1.394
local terms energy: -61.246059
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: -14.763
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: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -168.678581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.678581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.678581 (E_RNA)
where:
Base-Base interactions energy: -105.761
where: short stacking energy: -55.612
Base-Backbone interact. energy: -0.099
local terms energy: -62.818904
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -8.657
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: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -173.447727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.447727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.447727 (E_RNA)
where:
Base-Base interactions energy: -112.898
where: short stacking energy: -61.781
Base-Backbone interact. energy: 0.184
local terms energy: -60.733398
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -95.462652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.462652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.462652 (E_RNA)
where:
Base-Base interactions energy: -43.122
where: short stacking energy: -35.271
Base-Backbone interact. energy: -0.121
local terms energy: -52.219371
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -8.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -93.572869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.572869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.572869 (E_RNA)
where:
Base-Base interactions energy: -55.405
where: short stacking energy: -32.044
Base-Backbone interact. energy: 1.031
local terms energy: -39.199247
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -1.677
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: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -84.488857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.488857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.488857 (E_RNA)
where:
Base-Base interactions energy: -31.115
where: short stacking energy: -31.115
Base-Backbone interact. energy: -0.145
local terms energy: -53.228800
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -3.727
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: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -85.038578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.038578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.038578 (E_RNA)
where:
Base-Base interactions energy: -34.254
where: short stacking energy: -31.056
Base-Backbone interact. energy: -0.972
local terms energy: -49.812603
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -81.321579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.321579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.321579 (E_RNA)
where:
Base-Base interactions energy: -38.577
where: short stacking energy: -26.872
Base-Backbone interact. energy: -0.126
local terms energy: -42.618546
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: 1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -203.082380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.082380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.082380 (E_RNA)
where:
Base-Base interactions energy: -135.507
where: short stacking energy: -58.093
Base-Backbone interact. energy: -0.194
local terms energy: -67.380995
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -9.441
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: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -179.318708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.318708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.318708 (E_RNA)
where:
Base-Base interactions energy: -109.410
where: short stacking energy: -61.777
Base-Backbone interact. energy: -0.147
local terms energy: -69.761674
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -206.569083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.569083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.569083 (E_RNA)
where:
Base-Base interactions energy: -137.322
where: short stacking energy: -56.708
Base-Backbone interact. energy: -0.171
local terms energy: -69.076266
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -11.563
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: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -163.943743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.943743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.943743 (E_RNA)
where:
Base-Base interactions energy: -100.566
where: short stacking energy: -39.905
Base-Backbone interact. energy: -0.418
local terms energy: -62.960246
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -184.196963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.196963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.196963 (E_RNA)
where:
Base-Base interactions energy: -116.430
where: short stacking energy: -57.157
Base-Backbone interact. energy: -0.004
local terms energy: -67.763401
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -96.768710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.768710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.768710 (E_RNA)
where:
Base-Base interactions energy: -40.065
where: short stacking energy: -29.298
Base-Backbone interact. energy: -0.202
local terms energy: -56.501844
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -102.049468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.049468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.049468 (E_RNA)
where:
Base-Base interactions energy: -40.086
where: short stacking energy: -39.384
Base-Backbone interact. energy: -0.004
local terms energy: -61.960361
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -104.820346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.820346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.820346 (E_RNA)
where:
Base-Base interactions energy: -46.038
where: short stacking energy: -43.401
Base-Backbone interact. energy: -0.096
local terms energy: -58.685416
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -12.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -82.975955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.975955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.975955 (E_RNA)
where:
Base-Base interactions energy: -28.747
where: short stacking energy: -25.295
Base-Backbone interact. energy: 0.691
local terms energy: -54.919778
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -83.059799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.059799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.059799 (E_RNA)
where:
Base-Base interactions energy: -39.873
where: short stacking energy: -37.932
Base-Backbone interact. energy: -0.174
local terms energy: -43.012899
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -6.577
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -202.220355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.220355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.220355 (E_RNA)
where:
Base-Base interactions energy: -127.942
where: short stacking energy: -61.756
Base-Backbone interact. energy: -0.080
local terms energy: -74.198718
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -201.111003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.111003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.111003 (E_RNA)
where:
Base-Base interactions energy: -130.906
where: short stacking energy: -63.787
Base-Backbone interact. energy: -0.053
local terms energy: -70.151691
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -16.453
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: 223
Temperature: 1.000000
Total energy: -185.254997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.254997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.254997 (E_RNA)
where:
Base-Base interactions energy: -114.252
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.193
local terms energy: -70.809633
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -163.841376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.841376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.841376 (E_RNA)
where:
Base-Base interactions energy: -98.103
where: short stacking energy: -50.058
Base-Backbone interact. energy: -0.040
local terms energy: -65.698880
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -13.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -164.442995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.442995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.442995 (E_RNA)
where:
Base-Base interactions energy: -98.374
where: short stacking energy: -49.118
Base-Backbone interact. energy: -0.064
local terms energy: -66.005269
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -13.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -99.591964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.591964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.591964 (E_RNA)
where:
Base-Base interactions energy: -35.345
where: short stacking energy: -32.165
Base-Backbone interact. energy: -0.053
local terms energy: -64.193973
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -92.166066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.166066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.166066 (E_RNA)
where:
Base-Base interactions energy: -37.972
where: short stacking energy: -37.972
Base-Backbone interact. energy: -0.001
local terms energy: -54.192979
where:
bonds (distance) C4'-P energy: -5.056
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -97.141473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.141473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.141473 (E_RNA)
where:
Base-Base interactions energy: -46.879
where: short stacking energy: -25.705
Base-Backbone interact. energy: -0.768
local terms energy: -49.494439
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: 0.315
tors. eta vs tors. theta energy: -6.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -95.300285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.300285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.300285 (E_RNA)
where:
Base-Base interactions energy: -49.861
where: short stacking energy: -30.140
Base-Backbone interact. energy: -0.807
local terms energy: -44.632336
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -2.732
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -84.058039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.058039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.058039 (E_RNA)
where:
Base-Base interactions energy: -24.652
where: short stacking energy: -24.652
Base-Backbone interact. energy: -0.176
local terms energy: -59.230221
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -201.932223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.932223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.932223 (E_RNA)
where:
Base-Base interactions energy: -130.853
where: short stacking energy: -64.762
Base-Backbone interact. energy: -0.012
local terms energy: -71.067304
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -197.089182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.089182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.089182 (E_RNA)
where:
Base-Base interactions energy: -124.727
where: short stacking energy: -65.253
Base-Backbone interact. energy: -0.005
local terms energy: -72.357547
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -160.309486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.309486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.309486 (E_RNA)
where:
Base-Base interactions energy: -94.215
where: short stacking energy: -44.531
Base-Backbone interact. energy: -0.659
local terms energy: -65.434806
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -9.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -176.350919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.350919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.350919 (E_RNA)
where:
Base-Base interactions energy: -108.138
where: short stacking energy: -62.595
Base-Backbone interact. energy: -0.238
local terms energy: -67.974791
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -14.822
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: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -171.873886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.873886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.873886 (E_RNA)
where:
Base-Base interactions energy: -102.491
where: short stacking energy: -57.560
Base-Backbone interact. energy: -0.006
local terms energy: -69.376260
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -93.643476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.643476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.643476 (E_RNA)
where:
Base-Base interactions energy: -41.328
where: short stacking energy: -36.414
Base-Backbone interact. energy: -0.177
local terms energy: -52.138552
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -6.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -98.110270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.110270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.110270 (E_RNA)
where:
Base-Base interactions energy: -42.802
where: short stacking energy: -20.493
Base-Backbone interact. energy: -1.730
local terms energy: -53.578141
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -2.533
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: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -86.185171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.185171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.185171 (E_RNA)
where:
Base-Base interactions energy: -33.387
where: short stacking energy: -23.520
Base-Backbone interact. energy: -0.581
local terms energy: -52.217622
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -3.270
tors. eta vs tors. theta energy: -5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -90.298452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.298452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.298452 (E_RNA)
where:
Base-Base interactions energy: -34.131
where: short stacking energy: -32.635
Base-Backbone interact. energy: 0.360
local terms energy: -56.527336
where:
bonds (distance) C4'-P energy: -7.384
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -73.234605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.234605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.234605 (E_RNA)
where:
Base-Base interactions energy: -20.332
where: short stacking energy: -14.586
Base-Backbone interact. energy: -0.003
local terms energy: -52.899041
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -204.108208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.108208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.108208 (E_RNA)
where:
Base-Base interactions energy: -134.810
where: short stacking energy: -57.547
Base-Backbone interact. energy: -0.238
local terms energy: -69.059726
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -11.115
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: 10
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -171.499833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.499833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.499833 (E_RNA)
where:
Base-Base interactions energy: -100.546
where: short stacking energy: -47.667
Base-Backbone interact. energy: -0.079
local terms energy: -70.875168
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -198.192677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.192677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.192677 (E_RNA)
where:
Base-Base interactions energy: -132.839
where: short stacking energy: -65.366
Base-Backbone interact. energy: -0.132
local terms energy: -65.220813
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -8.009
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: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -168.933331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.933331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.933331 (E_RNA)
where:
Base-Base interactions energy: -102.032
where: short stacking energy: -57.147
Base-Backbone interact. energy: -0.291
local terms energy: -66.609914
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -154.193876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.193876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.193876 (E_RNA)
where:
Base-Base interactions energy: -97.942
where: short stacking energy: -49.598
Base-Backbone interact. energy: -0.044
local terms energy: -56.208031
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -116.446621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.446621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.446621 (E_RNA)
where:
Base-Base interactions energy: -64.477
where: short stacking energy: -46.093
Base-Backbone interact. energy: -0.148
local terms energy: -51.821943
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -10.671
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -89.369880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.369880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.369880 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -32.126
Base-Backbone interact. energy: -0.118
local terms energy: -50.181957
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -97.368452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.368452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.368452 (E_RNA)
where:
Base-Base interactions energy: -34.997
where: short stacking energy: -33.809
Base-Backbone interact. energy: -0.199
local terms energy: -62.172111
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -6.865
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: 225
Temperature: 1.300000
Total energy: -113.783677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.783677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.783677 (E_RNA)
where:
Base-Base interactions energy: -56.379
where: short stacking energy: -35.856
Base-Backbone interact. energy: -0.746
local terms energy: -56.658162
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -103.838026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.838026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.838026 (E_RNA)
where:
Base-Base interactions energy: -47.439
where: short stacking energy: -33.797
Base-Backbone interact. energy: -0.499
local terms energy: -55.900380
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -3.392
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: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -203.074842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.074842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.074842 (E_RNA)
where:
Base-Base interactions energy: -127.132
where: short stacking energy: -64.363
Base-Backbone interact. energy: 0.990
local terms energy: -76.932325
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -17.988
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: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -188.318562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.318562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.318562 (E_RNA)
where:
Base-Base interactions energy: -124.269
where: short stacking energy: -59.588
Base-Backbone interact. energy: -0.563
local terms energy: -63.486959
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -12.265
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: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -174.378112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.378112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.378112 (E_RNA)
where:
Base-Base interactions energy: -109.297
where: short stacking energy: -55.277
Base-Backbone interact. energy: -0.273
local terms energy: -64.808173
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -171.809639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.809639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.809639 (E_RNA)
where:
Base-Base interactions energy: -116.430
where: short stacking energy: -63.831
Base-Backbone interact. energy: -0.122
local terms energy: -55.257909
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -9.804
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -11.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -154.527452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.527452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.527452 (E_RNA)
where:
Base-Base interactions energy: -92.044
where: short stacking energy: -49.380
Base-Backbone interact. energy: -0.398
local terms energy: -62.085492
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -10.648
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: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -115.744405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.744405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.744405 (E_RNA)
where:
Base-Base interactions energy: -49.738
where: short stacking energy: -46.868
Base-Backbone interact. energy: -0.044
local terms energy: -65.962072
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -11.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -96.127325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.127325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.127325 (E_RNA)
where:
Base-Base interactions energy: -45.872
where: short stacking energy: -32.039
Base-Backbone interact. energy: -0.269
local terms energy: -49.987003
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -5.957
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: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -85.808584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.808584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.808584 (E_RNA)
where:
Base-Base interactions energy: -41.036
where: short stacking energy: -38.896
Base-Backbone interact. energy: -0.053
local terms energy: -44.718739
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -7.914
flat angles P-C4'-P energy: 0.121
tors. eta vs tors. theta energy: -9.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -101.523040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.523040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.523040 (E_RNA)
where:
Base-Base interactions energy: -48.774
where: short stacking energy: -34.350
Base-Backbone interact. energy: -0.013
local terms energy: -52.735228
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -6.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -85.774644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.774644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.774644 (E_RNA)
where:
Base-Base interactions energy: -38.516
where: short stacking energy: -38.172
Base-Backbone interact. energy: -0.522
local terms energy: -46.736020
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -5.403
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: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -201.631982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.631982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.631982 (E_RNA)
where:
Base-Base interactions energy: -138.231
where: short stacking energy: -56.252
Base-Backbone interact. energy: -0.136
local terms energy: -63.264837
where:
bonds (distance) C4'-P energy: -7.002
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -209.140395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.140395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.140395 (E_RNA)
where:
Base-Base interactions energy: -143.946
where: short stacking energy: -54.487
Base-Backbone interact. energy: 1.134
local terms energy: -66.328791
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -187.567733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.567733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.567733 (E_RNA)
where:
Base-Base interactions energy: -117.343
where: short stacking energy: -48.200
Base-Backbone interact. energy: -0.261
local terms energy: -69.963926
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -170.144825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.144825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.144825 (E_RNA)
where:
Base-Base interactions energy: -106.752
where: short stacking energy: -60.475
Base-Backbone interact. energy: -0.004
local terms energy: -63.388448
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -170.343734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.343734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.343734 (E_RNA)
where:
Base-Base interactions energy: -114.904
where: short stacking energy: -49.993
Base-Backbone interact. energy: -0.872
local terms energy: -54.567853
where:
bonds (distance) C4'-P energy: -8.486
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -106.624474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.624474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.624474 (E_RNA)
where:
Base-Base interactions energy: -54.755
where: short stacking energy: -41.086
Base-Backbone interact. energy: -0.108
local terms energy: -51.761504
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -9.207
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: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -87.885691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.885691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.885691 (E_RNA)
where:
Base-Base interactions energy: -34.377
where: short stacking energy: -29.133
Base-Backbone interact. energy: 0.466
local terms energy: -53.974757
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -95.618201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.618201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.618201 (E_RNA)
where:
Base-Base interactions energy: -47.238
where: short stacking energy: -46.891
Base-Backbone interact. energy: -0.102
local terms energy: -48.278261
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: 0.146
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -85.684395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.684395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.684395 (E_RNA)
where:
Base-Base interactions energy: -36.917
where: short stacking energy: -36.917
Base-Backbone interact. energy: -0.018
local terms energy: -48.748629
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -5.550
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -87.980790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.980790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.980790 (E_RNA)
where:
Base-Base interactions energy: -39.865
where: short stacking energy: -21.591
Base-Backbone interact. energy: -0.431
local terms energy: -47.684692
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: 0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -212.031651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.031651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.031651 (E_RNA)
where:
Base-Base interactions energy: -137.308
where: short stacking energy: -66.144
Base-Backbone interact. energy: -1.428
local terms energy: -73.295494
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -9.725
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: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -187.014748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.014748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.014748 (E_RNA)
where:
Base-Base interactions energy: -120.188
where: short stacking energy: -63.038
Base-Backbone interact. energy: -0.019
local terms energy: -66.807714
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -194.711233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.711233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.711233 (E_RNA)
where:
Base-Base interactions energy: -126.986
where: short stacking energy: -59.906
Base-Backbone interact. energy: -0.229
local terms energy: -67.496921
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -9.275
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: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -166.190400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.190400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.190400 (E_RNA)
where:
Base-Base interactions energy: -98.260
where: short stacking energy: -52.362
Base-Backbone interact. energy: -0.077
local terms energy: -67.853042
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -16.988
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: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -162.897847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.897847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.897847 (E_RNA)
where:
Base-Base interactions energy: -101.050
where: short stacking energy: -48.926
Base-Backbone interact. energy: -1.053
local terms energy: -60.794250
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -10.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -115.080921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.080921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.080921 (E_RNA)
where:
Base-Base interactions energy: -54.310
where: short stacking energy: -49.048
Base-Backbone interact. energy: -0.167
local terms energy: -60.603667
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -98.237049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.237049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.237049 (E_RNA)
where:
Base-Base interactions energy: -40.572
where: short stacking energy: -39.290
Base-Backbone interact. energy: -0.385
local terms energy: -57.279673
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -2.673
tors. eta vs tors. theta energy: -8.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -90.539995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.539995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.539995 (E_RNA)
where:
Base-Base interactions energy: -36.436
where: short stacking energy: -28.389
Base-Backbone interact. energy: -0.224
local terms energy: -53.879372
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -93.443223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.443223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.443223 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.167
local terms energy: -56.673899
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -8.530
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: 228
Temperature: 1.350000
Total energy: -75.737675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.737675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.737675 (E_RNA)
where:
Base-Base interactions energy: -27.900
where: short stacking energy: -25.733
Base-Backbone interact. energy: -0.325
local terms energy: -47.511965
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -6.551
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -211.178868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.178868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.178868 (E_RNA)
where:
Base-Base interactions energy: -133.912
where: short stacking energy: -66.993
Base-Backbone interact. energy: -0.030
local terms energy: -77.236720
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -208.418957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.418957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.418957 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -60.408
Base-Backbone interact. energy: -0.012
local terms energy: -67.061779
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -7.781
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -12.286
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: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -200.289366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.289366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.289366 (E_RNA)
where:
Base-Base interactions energy: -128.458
where: short stacking energy: -68.301
Base-Backbone interact. energy: -0.097
local terms energy: -71.734791
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -183.566187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.566187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.566187 (E_RNA)
where:
Base-Base interactions energy: -113.675
where: short stacking energy: -66.684
Base-Backbone interact. energy: -0.118
local terms energy: -69.772644
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -16.588
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: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -181.021160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.021160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.021160 (E_RNA)
where:
Base-Base interactions energy: -111.172
where: short stacking energy: -57.312
Base-Backbone interact. energy: -0.178
local terms energy: -69.670854
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -15.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -118.301827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.301827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.301827 (E_RNA)
where:
Base-Base interactions energy: -62.305
where: short stacking energy: -44.860
Base-Backbone interact. energy: 0.802
local terms energy: -56.799011
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -94.798389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.798389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.798389 (E_RNA)
where:
Base-Base interactions energy: -41.508
where: short stacking energy: -29.481
Base-Backbone interact. energy: -0.311
local terms energy: -52.978917
where:
bonds (distance) C4'-P energy: -7.541
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: 0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -83.564166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.564166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.564166 (E_RNA)
where:
Base-Base interactions energy: -34.072
where: short stacking energy: -20.361
Base-Backbone interact. energy: -0.242
local terms energy: -49.250616
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -75.688849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.688849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.688849 (E_RNA)
where:
Base-Base interactions energy: -32.290
where: short stacking energy: -28.445
Base-Backbone interact. energy: -0.965
local terms energy: -42.434151
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -79.980991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.980991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.980991 (E_RNA)
where:
Base-Base interactions energy: -35.678
where: short stacking energy: -28.013
Base-Backbone interact. energy: -0.161
local terms energy: -44.141581
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -210.476915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.476915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.476915 (E_RNA)
where:
Base-Base interactions energy: -138.148
where: short stacking energy: -59.735
Base-Backbone interact. energy: 0.375
local terms energy: -72.704274
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -196.013042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.013042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.013042 (E_RNA)
where:
Base-Base interactions energy: -131.349
where: short stacking energy: -62.703
Base-Backbone interact. energy: 0.235
local terms energy: -64.898900
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -14.113
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: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -200.375762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.375762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.375762 (E_RNA)
where:
Base-Base interactions energy: -130.080
where: short stacking energy: -68.178
Base-Backbone interact. energy: -0.987
local terms energy: -69.308769
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -14.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -162.171338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.171338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.171338 (E_RNA)
where:
Base-Base interactions energy: -102.851
where: short stacking energy: -58.550
Base-Backbone interact. energy: -0.098
local terms energy: -59.221849
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -168.677889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.677889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.677889 (E_RNA)
where:
Base-Base interactions energy: -102.940
where: short stacking energy: -46.994
Base-Backbone interact. energy: -0.651
local terms energy: -65.087359
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -101.497505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.497505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.497505 (E_RNA)
where:
Base-Base interactions energy: -33.845
where: short stacking energy: -33.845
Base-Backbone interact. energy: -0.011
local terms energy: -67.641809
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -94.966181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.966181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.966181 (E_RNA)
where:
Base-Base interactions energy: -39.321
where: short stacking energy: -39.321
Base-Backbone interact. energy: -0.171
local terms energy: -55.474258
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -10.504
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: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -84.592720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.592720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.592720 (E_RNA)
where:
Base-Base interactions energy: -28.796
where: short stacking energy: -28.796
Base-Backbone interact. energy: -0.114
local terms energy: -55.683130
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -6.562
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: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -76.163836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.163836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.163836 (E_RNA)
where:
Base-Base interactions energy: -27.075
where: short stacking energy: -26.940
Base-Backbone interact. energy: -0.245
local terms energy: -48.844542
where:
bonds (distance) C4'-P energy: -8.121
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -80.302897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.302897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.302897 (E_RNA)
where:
Base-Base interactions energy: -27.898
where: short stacking energy: -23.101
Base-Backbone interact. energy: -0.231
local terms energy: -52.173762
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -209.789636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.789636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.789636 (E_RNA)
where:
Base-Base interactions energy: -137.499
where: short stacking energy: -60.420
Base-Backbone interact. energy: -0.056
local terms energy: -72.234304
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -195.752861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.752861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.752861 (E_RNA)
where:
Base-Base interactions energy: -127.561
where: short stacking energy: -63.841
Base-Backbone interact. energy: -0.380
local terms energy: -67.812599
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -16.557
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: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -201.674726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.674726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.674726 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -62.370
Base-Backbone interact. energy: -0.096
local terms energy: -72.013056
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -14.314
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: 231
Temperature: 1.050000
Total energy: -169.408427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.408427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.408427 (E_RNA)
where:
Base-Base interactions energy: -99.437
where: short stacking energy: -51.010
Base-Backbone interact. energy: -0.016
local terms energy: -69.955360
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -163.109058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.109058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.109058 (E_RNA)
where:
Base-Base interactions energy: -103.845
where: short stacking energy: -58.449
Base-Backbone interact. energy: -0.053
local terms energy: -59.211408
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -11.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -97.189679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.189679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.189679 (E_RNA)
where:
Base-Base interactions energy: -40.022
where: short stacking energy: -40.022
Base-Backbone interact. energy: -0.018
local terms energy: -57.149306
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -10.369
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: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -99.175495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.175495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.175495 (E_RNA)
where:
Base-Base interactions energy: -50.858
where: short stacking energy: -47.451
Base-Backbone interact. energy: -0.201
local terms energy: -48.116377
where:
bonds (distance) C4'-P energy: -5.132
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -88.104560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104560 (E_RNA)
where:
Base-Base interactions energy: -39.705
where: short stacking energy: -29.304
Base-Backbone interact. energy: -0.016
local terms energy: -48.383151
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -88.747054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.747054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.747054 (E_RNA)
where:
Base-Base interactions energy: -28.705
where: short stacking energy: -27.754
Base-Backbone interact. energy: -0.201
local terms energy: -59.841634
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -82.413760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.413760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.413760 (E_RNA)
where:
Base-Base interactions energy: -26.832
where: short stacking energy: -23.274
Base-Backbone interact. energy: 0.361
local terms energy: -55.942857
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -7.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -204.769012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.769012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.769012 (E_RNA)
where:
Base-Base interactions energy: -131.771
where: short stacking energy: -58.244
Base-Backbone interact. energy: 0.321
local terms energy: -73.319087
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -14.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -193.942428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.942428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.942428 (E_RNA)
where:
Base-Base interactions energy: -134.749
where: short stacking energy: -55.912
Base-Backbone interact. energy: -0.088
local terms energy: -59.104849
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -13.354
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: 232
Temperature: 1.000000
Total energy: -196.371192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.371192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.371192 (E_RNA)
where:
Base-Base interactions energy: -123.635
where: short stacking energy: -66.778
Base-Backbone interact. energy: -0.012
local terms energy: -72.723852
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -15.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -178.360341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.360341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.360341 (E_RNA)
where:
Base-Base interactions energy: -113.216
where: short stacking energy: -67.377
Base-Backbone interact. energy: -0.195
local terms energy: -64.949591
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -16.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -159.801584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.801584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.801584 (E_RNA)
where:
Base-Base interactions energy: -97.514
where: short stacking energy: -57.845
Base-Backbone interact. energy: -1.055
local terms energy: -61.233501
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -112.027985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.027985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.027985 (E_RNA)
where:
Base-Base interactions energy: -68.818
where: short stacking energy: -42.244
Base-Backbone interact. energy: 1.486
local terms energy: -44.696538
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -96.409213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.409213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.409213 (E_RNA)
where:
Base-Base interactions energy: -45.965
where: short stacking energy: -30.871
Base-Backbone interact. energy: -0.758
local terms energy: -49.686370
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -9.377
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: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -83.799857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.799857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.799857 (E_RNA)
where:
Base-Base interactions energy: -31.919
where: short stacking energy: -27.824
Base-Backbone interact. energy: -0.246
local terms energy: -51.635470
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -1.853
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: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -77.800128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.800128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.800128 (E_RNA)
where:
Base-Base interactions energy: -25.384
where: short stacking energy: -15.236
Base-Backbone interact. energy: 0.213
local terms energy: -52.629595
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: 1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -73.441212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.441212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.441212 (E_RNA)
where:
Base-Base interactions energy: -26.100
where: short stacking energy: -23.442
Base-Backbone interact. energy: 1.425
local terms energy: -48.766607
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -9.099
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: 0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -201.996993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.996993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.996993 (E_RNA)
where:
Base-Base interactions energy: -136.155
where: short stacking energy: -54.999
Base-Backbone interact. energy: -0.162
local terms energy: -65.680035
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -196.541248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.541248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.541248 (E_RNA)
where:
Base-Base interactions energy: -125.412
where: short stacking energy: -66.066
Base-Backbone interact. energy: -0.015
local terms energy: -71.114465
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -10.400
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: 3, replica: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -187.951223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.951223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.951223 (E_RNA)
where:
Base-Base interactions energy: -126.319
where: short stacking energy: -57.499
Base-Backbone interact. energy: 0.571
local terms energy: -62.203723
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -171.183890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.183890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.183890 (E_RNA)
where:
Base-Base interactions energy: -102.143
where: short stacking energy: -56.801
Base-Backbone interact. energy: -0.074
local terms energy: -68.967122
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -8.974
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: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -176.653904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.653904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.653904 (E_RNA)
where:
Base-Base interactions energy: -107.147
where: short stacking energy: -61.511
Base-Backbone interact. energy: -0.111
local terms energy: -69.396116
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -18.550
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: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -100.218019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.218019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.218019 (E_RNA)
where:
Base-Base interactions energy: -53.042
where: short stacking energy: -41.751
Base-Backbone interact. energy: -0.092
local terms energy: -47.084174
where:
bonds (distance) C4'-P energy: -7.205
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -104.472264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.472264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.472264 (E_RNA)
where:
Base-Base interactions energy: -49.495
where: short stacking energy: -44.322
Base-Backbone interact. energy: -0.398
local terms energy: -54.578939
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -8.400
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: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -96.786865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.786865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.786865 (E_RNA)
where:
Base-Base interactions energy: -36.708
where: short stacking energy: -33.877
Base-Backbone interact. energy: -0.092
local terms energy: -59.987221
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -87.304691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.304691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.304691 (E_RNA)
where:
Base-Base interactions energy: -41.442
where: short stacking energy: -34.414
Base-Backbone interact. energy: -0.303
local terms energy: -45.560172
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -6.434
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -75.929058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.929058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.929058 (E_RNA)
where:
Base-Base interactions energy: -31.938
where: short stacking energy: -31.938
Base-Backbone interact. energy: -0.048
local terms energy: -43.942870
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -8.108
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -209.114871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.114871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.114871 (E_RNA)
where:
Base-Base interactions energy: -136.592
where: short stacking energy: -63.753
Base-Backbone interact. energy: -0.576
local terms energy: -71.947433
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -195.355558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.355558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.355558 (E_RNA)
where:
Base-Base interactions energy: -130.176
where: short stacking energy: -54.361
Base-Backbone interact. energy: -0.014
local terms energy: -65.166124
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -187.938967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.938967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.938967 (E_RNA)
where:
Base-Base interactions energy: -120.339
where: short stacking energy: -57.882
Base-Backbone interact. energy: -0.054
local terms energy: -67.545477
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -162.279634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.279634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.279634 (E_RNA)
where:
Base-Base interactions energy: -100.157
where: short stacking energy: -34.095
Base-Backbone interact. energy: 4.149
local terms energy: -66.272152
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -10.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -124.746386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.746386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.746386 (E_RNA)
where:
Base-Base interactions energy: -58.726
where: short stacking energy: -53.527
Base-Backbone interact. energy: -0.020
local terms energy: -65.999711
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -9.766
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: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -131.538042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.538042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.538042 (E_RNA)
where:
Base-Base interactions energy: -79.723
where: short stacking energy: -45.307
Base-Backbone interact. energy: -0.673
local terms energy: -51.141962
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -6.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -88.221507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.221507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.221507 (E_RNA)
where:
Base-Base interactions energy: -33.740
where: short stacking energy: -29.796
Base-Backbone interact. energy: -0.001
local terms energy: -54.481282
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -122.896564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.896564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.896564 (E_RNA)
where:
Base-Base interactions energy: -75.358
where: short stacking energy: -41.481
Base-Backbone interact. energy: -1.115
local terms energy: -46.423259
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -95.066799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.066799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.066799 (E_RNA)
where:
Base-Base interactions energy: -40.678
where: short stacking energy: -36.722
Base-Backbone interact. energy: 0.266
local terms energy: -54.654549
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -4.713
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: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -79.448752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.448752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.448752 (E_RNA)
where:
Base-Base interactions energy: -24.223
where: short stacking energy: -24.223
Base-Backbone interact. energy: -0.471
local terms energy: -54.755093
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -201.189244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.189244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.189244 (E_RNA)
where:
Base-Base interactions energy: -129.683
where: short stacking energy: -59.287
Base-Backbone interact. energy: -0.006
local terms energy: -71.500228
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -15.149
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: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -198.876599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.876599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.876599 (E_RNA)
where:
Base-Base interactions energy: -124.564
where: short stacking energy: -66.159
Base-Backbone interact. energy: -0.012
local terms energy: -74.300586
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -198.082692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.082692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.082692 (E_RNA)
where:
Base-Base interactions energy: -126.470
where: short stacking energy: -56.312
Base-Backbone interact. energy: 0.652
local terms energy: -72.265238
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -13.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -175.931025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.931025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.931025 (E_RNA)
where:
Base-Base interactions energy: -109.846
where: short stacking energy: -53.336
Base-Backbone interact. energy: -0.012
local terms energy: -66.073232
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -137.144347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.144347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.144347 (E_RNA)
where:
Base-Base interactions energy: -82.501
where: short stacking energy: -36.604
Base-Backbone interact. energy: -0.534
local terms energy: -54.109362
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -97.283735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.283735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.283735 (E_RNA)
where:
Base-Base interactions energy: -39.389
where: short stacking energy: -39.281
Base-Backbone interact. energy: -0.135
local terms energy: -57.759139
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -101.221162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.221162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.221162 (E_RNA)
where:
Base-Base interactions energy: -46.558
where: short stacking energy: -31.483
Base-Backbone interact. energy: -0.074
local terms energy: -54.588968
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -143.040699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.040699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.040699 (E_RNA)
where:
Base-Base interactions energy: -84.124
where: short stacking energy: -47.504
Base-Backbone interact. energy: -0.059
local terms energy: -58.857403
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -12.191
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: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -85.694636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.694636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.694636 (E_RNA)
where:
Base-Base interactions energy: -34.869
where: short stacking energy: -32.338
Base-Backbone interact. energy: 0.083
local terms energy: -50.908254
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -87.813848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.813848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.813848 (E_RNA)
where:
Base-Base interactions energy: -36.414
where: short stacking energy: -20.538
Base-Backbone interact. energy: -0.033
local terms energy: -51.366901
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -180.747501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.747501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.747501 (E_RNA)
where:
Base-Base interactions energy: -108.741
where: short stacking energy: -54.797
Base-Backbone interact. energy: -0.032
local terms energy: -71.974516
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -13.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -210.594389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.594389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.594389 (E_RNA)
where:
Base-Base interactions energy: -140.864
where: short stacking energy: -53.285
Base-Backbone interact. energy: -1.091
local terms energy: -68.639167
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -8.794
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: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -198.173873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.173873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.173873 (E_RNA)
where:
Base-Base interactions energy: -133.046
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.726
local terms energy: -64.402688
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -11.479
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: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -167.334455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.334455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.334455 (E_RNA)
where:
Base-Base interactions energy: -105.881
where: short stacking energy: -49.945
Base-Backbone interact. energy: -0.273
local terms energy: -61.179994
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -11.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -177.603508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.603508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.603508 (E_RNA)
where:
Base-Base interactions energy: -116.677
where: short stacking energy: -56.604
Base-Backbone interact. energy: -0.225
local terms energy: -60.701893
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -14.002
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: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -99.280293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.280293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.280293 (E_RNA)
where:
Base-Base interactions energy: -45.411
where: short stacking energy: -45.299
Base-Backbone interact. energy: -0.079
local terms energy: -53.790227
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -122.695432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.695432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.695432 (E_RNA)
where:
Base-Base interactions energy: -71.023
where: short stacking energy: -36.262
Base-Backbone interact. energy: -0.481
local terms energy: -51.191405
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -85.369043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.369043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.369043 (E_RNA)
where:
Base-Base interactions energy: -36.561
where: short stacking energy: -36.561
Base-Backbone interact. energy: -0.094
local terms energy: -48.714479
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -81.578004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.578004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.578004 (E_RNA)
where:
Base-Base interactions energy: -37.737
where: short stacking energy: -31.434
Base-Backbone interact. energy: -0.121
local terms energy: -43.719658
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -8.343
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -76.314424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.314424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.314424 (E_RNA)
where:
Base-Base interactions energy: -30.886
where: short stacking energy: -26.510
Base-Backbone interact. energy: 1.281
local terms energy: -46.708758
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -186.828763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.828763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.828763 (E_RNA)
where:
Base-Base interactions energy: -117.657
where: short stacking energy: -50.899
Base-Backbone interact. energy: -0.640
local terms energy: -68.531914
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -13.968
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: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -200.991862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.991862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.991862 (E_RNA)
where:
Base-Base interactions energy: -142.133
where: short stacking energy: -54.834
Base-Backbone interact. energy: -0.061
local terms energy: -58.798787
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -9.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -193.592693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.592693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.592693 (E_RNA)
where:
Base-Base interactions energy: -132.300
where: short stacking energy: -49.387
Base-Backbone interact. energy: 0.312
local terms energy: -61.603870
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -10.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -164.568106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.568106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.568106 (E_RNA)
where:
Base-Base interactions energy: -102.695
where: short stacking energy: -53.651
Base-Backbone interact. energy: -0.511
local terms energy: -61.361860
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -155.326280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.326280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.326280 (E_RNA)
where:
Base-Base interactions energy: -91.602
where: short stacking energy: -49.511
Base-Backbone interact. energy: -0.185
local terms energy: -63.539490
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -98.058913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.058913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.058913 (E_RNA)
where:
Base-Base interactions energy: -47.190
where: short stacking energy: -35.801
Base-Backbone interact. energy: -1.316
local terms energy: -49.552414
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -4.427
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -87.548598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.548598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.548598 (E_RNA)
where:
Base-Base interactions energy: -40.518
where: short stacking energy: -28.131
Base-Backbone interact. energy: -1.567
local terms energy: -45.463703
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -2.707
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: 8, replica: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -85.975525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.975525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.975525 (E_RNA)
where:
Base-Base interactions energy: -28.831
where: short stacking energy: -22.847
Base-Backbone interact. energy: -0.732
local terms energy: -56.413307
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -89.494805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.494805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.494805 (E_RNA)
where:
Base-Base interactions energy: -37.895
where: short stacking energy: -32.577
Base-Backbone interact. energy: -0.111
local terms energy: -51.488006
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -76.613140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.613140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.613140 (E_RNA)
where:
Base-Base interactions energy: -17.727
where: short stacking energy: -17.471
Base-Backbone interact. energy: -0.042
local terms energy: -58.844127
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -207.826817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.826817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.826817 (E_RNA)
where:
Base-Base interactions energy: -134.315
where: short stacking energy: -62.994
Base-Backbone interact. energy: -0.051
local terms energy: -73.460416
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -18.284
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: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -182.057385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.057385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.057385 (E_RNA)
where:
Base-Base interactions energy: -112.489
where: short stacking energy: -60.060
Base-Backbone interact. energy: 0.491
local terms energy: -70.059139
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -13.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -207.836085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.836085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.836085 (E_RNA)
where:
Base-Base interactions energy: -136.975
where: short stacking energy: -68.200
Base-Backbone interact. energy: -0.373
local terms energy: -70.487141
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -20.167
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: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -173.413089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.413089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.413089 (E_RNA)
where:
Base-Base interactions energy: -101.353
where: short stacking energy: -58.762
Base-Backbone interact. energy: -0.226
local terms energy: -71.834912
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -176.173184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.173184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.173184 (E_RNA)
where:
Base-Base interactions energy: -115.504
where: short stacking energy: -47.408
Base-Backbone interact. energy: -0.160
local terms energy: -60.509400
where:
bonds (distance) C4'-P energy: -6.489
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -101.618484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.618484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.618484 (E_RNA)
where:
Base-Base interactions energy: -49.905
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.069
local terms energy: -51.643954
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -95.396461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.396461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.396461 (E_RNA)
where:
Base-Base interactions energy: -38.649
where: short stacking energy: -29.351
Base-Backbone interact. energy: -0.719
local terms energy: -56.027953
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -5.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -89.520593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.520593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.520593 (E_RNA)
where:
Base-Base interactions energy: -43.009
where: short stacking energy: -36.458
Base-Backbone interact. energy: -0.782
local terms energy: -45.729446
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -83.102385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.102385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.102385 (E_RNA)
where:
Base-Base interactions energy: -42.826
where: short stacking energy: -23.651
Base-Backbone interact. energy: 0.383
local terms energy: -40.659288
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -6.869
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -76.031621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.031621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.031621 (E_RNA)
where:
Base-Base interactions energy: -27.488
where: short stacking energy: -25.200
Base-Backbone interact. energy: -0.035
local terms energy: -48.509017
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -9.442
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -1.881
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -209.940147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.940147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.940147 (E_RNA)
where:
Base-Base interactions energy: -132.873
where: short stacking energy: -65.357
Base-Backbone interact. energy: -0.099
local terms energy: -76.967576
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -207.011340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.011340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.011340 (E_RNA)
where:
Base-Base interactions energy: -131.693
where: short stacking energy: -68.598
Base-Backbone interact. energy: -0.100
local terms energy: -75.218675
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -193.839563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.839563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.839563 (E_RNA)
where:
Base-Base interactions energy: -121.228
where: short stacking energy: -68.408
Base-Backbone interact. energy: -0.002
local terms energy: -72.609598
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -186.777993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.777993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.777993 (E_RNA)
where:
Base-Base interactions energy: -124.942
where: short stacking energy: -61.901
Base-Backbone interact. energy: -0.015
local terms energy: -61.820642
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -160.263172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.263172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.263172 (E_RNA)
where:
Base-Base interactions energy: -99.595
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.102
local terms energy: -60.565643
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -16.183
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: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -96.701104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.701104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.701104 (E_RNA)
where:
Base-Base interactions energy: -41.106
where: short stacking energy: -35.111
Base-Backbone interact. energy: -0.157
local terms energy: -55.438382
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -115.899948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.899948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.899948 (E_RNA)
where:
Base-Base interactions energy: -56.082
where: short stacking energy: -28.945
Base-Backbone interact. energy: -0.427
local terms energy: -59.390295
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -7.146
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: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -87.132628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.132628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.132628 (E_RNA)
where:
Base-Base interactions energy: -43.186
where: short stacking energy: -38.520
Base-Backbone interact. energy: -0.631
local terms energy: -43.315333
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -85.862925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.862925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.862925 (E_RNA)
where:
Base-Base interactions energy: -39.338
where: short stacking energy: -33.445
Base-Backbone interact. energy: -0.120
local terms energy: -46.404788
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -7.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -76.257395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.257395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.257395 (E_RNA)
where:
Base-Base interactions energy: -42.798
where: short stacking energy: -28.535
Base-Backbone interact. energy: -0.263
local terms energy: -33.195759
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: 1.039
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -208.744642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.744642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.744642 (E_RNA)
where:
Base-Base interactions energy: -143.215
where: short stacking energy: -65.378
Base-Backbone interact. energy: -0.060
local terms energy: -65.469651
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -201.029007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.029007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.029007 (E_RNA)
where:
Base-Base interactions energy: -121.569
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.206
local terms energy: -79.254558
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -190.397775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.397775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.397775 (E_RNA)
where:
Base-Base interactions energy: -121.242
where: short stacking energy: -57.611
Base-Backbone interact. energy: -0.022
local terms energy: -69.133543
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -186.779285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.779285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.779285 (E_RNA)
where:
Base-Base interactions energy: -118.081
where: short stacking energy: -64.190
Base-Backbone interact. energy: -0.148
local terms energy: -68.550429
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -162.701015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.701015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.701015 (E_RNA)
where:
Base-Base interactions energy: -104.718
where: short stacking energy: -54.379
Base-Backbone interact. energy: 0.378
local terms energy: -58.360659
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -15.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -118.031880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.031880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.031880 (E_RNA)
where:
Base-Base interactions energy: -50.656
where: short stacking energy: -50.656
Base-Backbone interact. energy: -0.147
local terms energy: -67.228127
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -13.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -98.221541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.221541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.221541 (E_RNA)
where:
Base-Base interactions energy: -42.060
where: short stacking energy: -42.060
Base-Backbone interact. energy: -0.018
local terms energy: -56.142904
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -133.376451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.376451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.376451 (E_RNA)
where:
Base-Base interactions energy: -70.901
where: short stacking energy: -33.274
Base-Backbone interact. energy: -0.022
local terms energy: -62.452957
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -86.440696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.440696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.440696 (E_RNA)
where:
Base-Base interactions energy: -37.800
where: short stacking energy: -33.390
Base-Backbone interact. energy: -0.276
local terms energy: -48.365071
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -80.616030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.616030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.616030 (E_RNA)
where:
Base-Base interactions energy: -33.857
where: short stacking energy: -20.975
Base-Backbone interact. energy: -0.189
local terms energy: -46.569889
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -10.667
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: 0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -198.859818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.859818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.859818 (E_RNA)
where:
Base-Base interactions energy: -137.232
where: short stacking energy: -66.571
Base-Backbone interact. energy: 0.989
local terms energy: -62.617124
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -13.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -202.777703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.777703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.777703 (E_RNA)
where:
Base-Base interactions energy: -129.357
where: short stacking energy: -75.247
Base-Backbone interact. energy: -0.012
local terms energy: -73.409003
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -22.762
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: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -178.337795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.337795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.337795 (E_RNA)
where:
Base-Base interactions energy: -119.316
where: short stacking energy: -61.385
Base-Backbone interact. energy: -0.010
local terms energy: -59.012630
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -169.477703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.477703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.477703 (E_RNA)
where:
Base-Base interactions energy: -104.578
where: short stacking energy: -54.105
Base-Backbone interact. energy: -0.349
local terms energy: -64.550677
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -171.242630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.242630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.242630 (E_RNA)
where:
Base-Base interactions energy: -107.959
where: short stacking energy: -58.041
Base-Backbone interact. energy: -0.518
local terms energy: -62.765718
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -93.704567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.704567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.704567 (E_RNA)
where:
Base-Base interactions energy: -35.049
where: short stacking energy: -35.011
Base-Backbone interact. energy: -0.073
local terms energy: -58.583039
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -108.959516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.959516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.959516 (E_RNA)
where:
Base-Base interactions energy: -50.932
where: short stacking energy: -42.258
Base-Backbone interact. energy: -0.006
local terms energy: -58.021860
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -135.102278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.102278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.102278 (E_RNA)
where:
Base-Base interactions energy: -81.019
where: short stacking energy: -28.995
Base-Backbone interact. energy: -0.689
local terms energy: -53.394575
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -81.371451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.371451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.371451 (E_RNA)
where:
Base-Base interactions energy: -31.962
where: short stacking energy: -21.616
Base-Backbone interact. energy: -0.180
local terms energy: -49.228949
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -0.203
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: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -83.628614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.628614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.628614 (E_RNA)
where:
Base-Base interactions energy: -35.228
where: short stacking energy: -25.842
Base-Backbone interact. energy: -0.540
local terms energy: -47.860670
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -206.238055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.238055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.238055 (E_RNA)
where:
Base-Base interactions energy: -131.042
where: short stacking energy: -61.010
Base-Backbone interact. energy: -0.426
local terms energy: -74.770240
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -12.892
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: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -192.245341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.245341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.245341 (E_RNA)
where:
Base-Base interactions energy: -112.146
where: short stacking energy: -69.853
Base-Backbone interact. energy: -0.106
local terms energy: -79.992765
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -20.771
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: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -194.020645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.020645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.020645 (E_RNA)
where:
Base-Base interactions energy: -119.171
where: short stacking energy: -53.448
Base-Backbone interact. energy: -0.669
local terms energy: -74.180332
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -8.738
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: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -174.898685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.898685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.898685 (E_RNA)
where:
Base-Base interactions energy: -111.316
where: short stacking energy: -44.971
Base-Backbone interact. energy: -0.329
local terms energy: -63.253236
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -183.966777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.966777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.966777 (E_RNA)
where:
Base-Base interactions energy: -122.248
where: short stacking energy: -56.316
Base-Backbone interact. energy: -0.104
local terms energy: -61.614679
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -5.800
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: 6, replica: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -98.135406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.135406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.135406 (E_RNA)
where:
Base-Base interactions energy: -44.831
where: short stacking energy: -40.494
Base-Backbone interact. energy: -0.077
local terms energy: -53.227211
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -9.192
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: 242
Temperature: 1.200000
Total energy: -135.633152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.633152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.633152 (E_RNA)
where:
Base-Base interactions energy: -86.890
where: short stacking energy: -45.561
Base-Backbone interact. energy: 0.469
local terms energy: -49.212197
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -8.131
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -80.913867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.913867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.913867 (E_RNA)
where:
Base-Base interactions energy: -27.377
where: short stacking energy: -27.377
Base-Backbone interact. energy: 0.256
local terms energy: -53.792764
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -88.862768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.862768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.862768 (E_RNA)
where:
Base-Base interactions energy: -33.701
where: short stacking energy: -33.701
Base-Backbone interact. energy: -0.055
local terms energy: -55.107235
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -80.817776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.817776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.817776 (E_RNA)
where:
Base-Base interactions energy: -28.003
where: short stacking energy: -25.474
Base-Backbone interact. energy: -0.147
local terms energy: -52.667661
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -0.185
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -210.554716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.554716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.554716 (E_RNA)
where:
Base-Base interactions energy: -146.178
where: short stacking energy: -56.663
Base-Backbone interact. energy: -0.018
local terms energy: -64.358638
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -12.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -189.304350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.304350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.304350 (E_RNA)
where:
Base-Base interactions energy: -120.304
where: short stacking energy: -67.013
Base-Backbone interact. energy: -0.002
local terms energy: -68.998662
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -16.987
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: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -201.865399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.865399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.865399 (E_RNA)
where:
Base-Base interactions energy: -133.631
where: short stacking energy: -45.819
Base-Backbone interact. energy: -0.308
local terms energy: -67.926207
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -177.754522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.754522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.754522 (E_RNA)
where:
Base-Base interactions energy: -107.281
where: short stacking energy: -58.857
Base-Backbone interact. energy: -0.143
local terms energy: -70.330267
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -12.472
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: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -174.473094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.473094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.473094 (E_RNA)
where:
Base-Base interactions energy: -109.462
where: short stacking energy: -58.396
Base-Backbone interact. energy: -1.086
local terms energy: -63.925036
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -152.264747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.264747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.264747 (E_RNA)
where:
Base-Base interactions energy: -95.765
where: short stacking energy: -46.760
Base-Backbone interact. energy: -0.153
local terms energy: -56.346151
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -104.757390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.757390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.757390 (E_RNA)
where:
Base-Base interactions energy: -40.431
where: short stacking energy: -30.570
Base-Backbone interact. energy: -0.188
local terms energy: -64.138624
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -79.963845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.963845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.963845 (E_RNA)
where:
Base-Base interactions energy: -35.459
where: short stacking energy: -33.826
Base-Backbone interact. energy: -0.324
local terms energy: -44.181373
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -8.125
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -88.832490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.832490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.832490 (E_RNA)
where:
Base-Base interactions energy: -31.532
where: short stacking energy: -30.304
Base-Backbone interact. energy: -0.019
local terms energy: -57.281314
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -86.014257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.014257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.014257 (E_RNA)
where:
Base-Base interactions energy: -32.484
where: short stacking energy: -29.711
Base-Backbone interact. energy: -0.359
local terms energy: -53.171305
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -205.581056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.581056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.581056 (E_RNA)
where:
Base-Base interactions energy: -135.636
where: short stacking energy: -51.049
Base-Backbone interact. energy: -0.192
local terms energy: -69.753392
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -12.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -199.411748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.411748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.411748 (E_RNA)
where:
Base-Base interactions energy: -128.042
where: short stacking energy: -58.624
Base-Backbone interact. energy: -1.277
local terms energy: -70.092811
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -12.267
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: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -196.024892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.024892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.024892 (E_RNA)
where:
Base-Base interactions energy: -129.807
where: short stacking energy: -51.399
Base-Backbone interact. energy: -0.261
local terms energy: -65.957594
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -171.378714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.378714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.378714 (E_RNA)
where:
Base-Base interactions energy: -97.925
where: short stacking energy: -49.819
Base-Backbone interact. energy: -0.004
local terms energy: -73.448976
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -15.118
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: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -144.825086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.825086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.825086 (E_RNA)
where:
Base-Base interactions energy: -87.811
where: short stacking energy: -48.784
Base-Backbone interact. energy: -0.123
local terms energy: -56.891070
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -9.555
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: 244
Temperature: 1.150000
Total energy: -149.839311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.839311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.839311 (E_RNA)
where:
Base-Base interactions energy: -92.718
where: short stacking energy: -42.043
Base-Backbone interact. energy: -0.003
local terms energy: -57.118066
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -88.082202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.082202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.082202 (E_RNA)
where:
Base-Base interactions energy: -36.960
where: short stacking energy: -36.960
Base-Backbone interact. energy: -0.090
local terms energy: -51.032539
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -85.387589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.387589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.387589 (E_RNA)
where:
Base-Base interactions energy: -32.342
where: short stacking energy: -28.025
Base-Backbone interact. energy: -0.260
local terms energy: -52.786416
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -92.452763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.452763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.452763 (E_RNA)
where:
Base-Base interactions energy: -39.577
where: short stacking energy: -26.935
Base-Backbone interact. energy: -0.085
local terms energy: -52.790086
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -79.124812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.124812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.124812 (E_RNA)
where:
Base-Base interactions energy: -21.669
where: short stacking energy: -20.720
Base-Backbone interact. energy: -0.686
local terms energy: -56.769592
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -201.111288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.111288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.111288 (E_RNA)
where:
Base-Base interactions energy: -130.052
where: short stacking energy: -59.708
Base-Backbone interact. energy: 0.496
local terms energy: -71.555069
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -16.092
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: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -204.671024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.671024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.671024 (E_RNA)
where:
Base-Base interactions energy: -137.748
where: short stacking energy: -52.635
Base-Backbone interact. energy: -0.568
local terms energy: -66.354997
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -193.602507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.602507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.602507 (E_RNA)
where:
Base-Base interactions energy: -121.693
where: short stacking energy: -52.130
Base-Backbone interact. energy: -0.032
local terms energy: -71.877805
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -172.098406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.098406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.098406 (E_RNA)
where:
Base-Base interactions energy: -108.366
where: short stacking energy: -49.379
Base-Backbone interact. energy: -0.146
local terms energy: -63.587043
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -160.713948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.713948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.713948 (E_RNA)
where:
Base-Base interactions energy: -105.212
where: short stacking energy: -49.688
Base-Backbone interact. energy: -0.029
local terms energy: -55.472614
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -10.956
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: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -143.405332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.405332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.405332 (E_RNA)
where:
Base-Base interactions energy: -91.800
where: short stacking energy: -45.404
Base-Backbone interact. energy: -0.173
local terms energy: -51.432409
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -88.360082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.360082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.360082 (E_RNA)
where:
Base-Base interactions energy: -39.494
where: short stacking energy: -32.972
Base-Backbone interact. energy: 0.106
local terms energy: -48.972163
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -102.259109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.259109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.259109 (E_RNA)
where:
Base-Base interactions energy: -47.154
where: short stacking energy: -39.335
Base-Backbone interact. energy: -0.338
local terms energy: -54.767480
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -5.799
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: 9, replica: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -83.781382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.781382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.781382 (E_RNA)
where:
Base-Base interactions energy: -32.043
where: short stacking energy: -32.043
Base-Backbone interact. energy: -0.064
local terms energy: -51.674099
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -86.041155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.041155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.041155 (E_RNA)
where:
Base-Base interactions energy: -31.982
where: short stacking energy: -30.073
Base-Backbone interact. energy: -0.101
local terms energy: -53.958018
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -200.536064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.536064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.536064 (E_RNA)
where:
Base-Base interactions energy: -126.883
where: short stacking energy: -69.453
Base-Backbone interact. energy: -0.006
local terms energy: -73.647556
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -10.376
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: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -198.080382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.080382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.080382 (E_RNA)
where:
Base-Base interactions energy: -128.456
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.097
local terms energy: -69.527308
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -199.320317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.320317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.320317 (E_RNA)
where:
Base-Base interactions energy: -126.402
where: short stacking energy: -70.264
Base-Backbone interact. energy: -0.002
local terms energy: -72.915880
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -161.143779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.143779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.143779 (E_RNA)
where:
Base-Base interactions energy: -96.085
where: short stacking energy: -52.076
Base-Backbone interact. energy: -0.017
local terms energy: -65.041880
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -13.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -149.028083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.028083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.028083 (E_RNA)
where:
Base-Base interactions energy: -90.521
where: short stacking energy: -45.744
Base-Backbone interact. energy: -0.155
local terms energy: -58.352163
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -8.914
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: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -153.211762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.211762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.211762 (E_RNA)
where:
Base-Base interactions energy: -94.910
where: short stacking energy: -49.064
Base-Backbone interact. energy: -0.116
local terms energy: -58.186052
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -100.261998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.261998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.261998 (E_RNA)
where:
Base-Base interactions energy: -45.944
where: short stacking energy: -26.887
Base-Backbone interact. energy: -0.105
local terms energy: -54.213611
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -7.821
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -6.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -95.437280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.437280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.437280 (E_RNA)
where:
Base-Base interactions energy: -48.809
where: short stacking energy: -30.770
Base-Backbone interact. energy: -0.201
local terms energy: -46.426788
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -88.102587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.102587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.102587 (E_RNA)
where:
Base-Base interactions energy: -49.351
where: short stacking energy: -27.806
Base-Backbone interact. energy: 1.347
local terms energy: -40.097718
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: 0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -86.542753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.542753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.542753 (E_RNA)
where:
Base-Base interactions energy: -32.719
where: short stacking energy: -29.851
Base-Backbone interact. energy: 0.206
local terms energy: -54.030228
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -213.440818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.440818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.440818 (E_RNA)
where:
Base-Base interactions energy: -146.559
where: short stacking energy: -55.581
Base-Backbone interact. energy: 2.732
local terms energy: -69.614339
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -206.717145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.717145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.717145 (E_RNA)
where:
Base-Base interactions energy: -130.082
where: short stacking energy: -61.283
Base-Backbone interact. energy: -0.058
local terms energy: -76.577786
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -187.748457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.748457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.748457 (E_RNA)
where:
Base-Base interactions energy: -118.549
where: short stacking energy: -58.417
Base-Backbone interact. energy: -0.147
local terms energy: -69.053270
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -10.570
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: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -153.396177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.396177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.396177 (E_RNA)
where:
Base-Base interactions energy: -85.671
where: short stacking energy: -46.333
Base-Backbone interact. energy: -0.385
local terms energy: -67.340339
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.978
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: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -125.844356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.844356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.844356 (E_RNA)
where:
Base-Base interactions energy: -68.645
where: short stacking energy: -47.139
Base-Backbone interact. energy: 2.826
local terms energy: -60.026231
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -8.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -157.507796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.507796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.507796 (E_RNA)
where:
Base-Base interactions energy: -93.150
where: short stacking energy: -51.956
Base-Backbone interact. energy: -0.372
local terms energy: -63.985821
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -10.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -97.230021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.230021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.230021 (E_RNA)
where:
Base-Base interactions energy: -43.773
where: short stacking energy: -42.949
Base-Backbone interact. energy: -0.314
local terms energy: -53.143052
where:
bonds (distance) C4'-P energy: -9.149
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -90.567544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.567544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.567544 (E_RNA)
where:
Base-Base interactions energy: -37.374
where: short stacking energy: -37.374
Base-Backbone interact. energy: -0.034
local terms energy: -53.159063
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -99.522612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.522612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.522612 (E_RNA)
where:
Base-Base interactions energy: -40.729
where: short stacking energy: -35.235
Base-Backbone interact. energy: -0.246
local terms energy: -58.547233
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -88.254592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.254592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.254592 (E_RNA)
where:
Base-Base interactions energy: -46.488
where: short stacking energy: -34.557
Base-Backbone interact. energy: -0.118
local terms energy: -41.648865
where:
bonds (distance) C4'-P energy: -9.078
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -6.873
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -212.602188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.602188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.602188 (E_RNA)
where:
Base-Base interactions energy: -142.593
where: short stacking energy: -62.316
Base-Backbone interact. energy: -0.431
local terms energy: -69.577447
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -201.796122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.796122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.796122 (E_RNA)
where:
Base-Base interactions energy: -132.257
where: short stacking energy: -66.295
Base-Backbone interact. energy: -0.492
local terms energy: -69.047111
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -192.231224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.231224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.231224 (E_RNA)
where:
Base-Base interactions energy: -121.857
where: short stacking energy: -46.796
Base-Backbone interact. energy: -0.027
local terms energy: -70.347760
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -149.904144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.904144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.904144 (E_RNA)
where:
Base-Base interactions energy: -88.567
where: short stacking energy: -48.214
Base-Backbone interact. energy: -0.023
local terms energy: -61.314223
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -11.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -170.850226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.850226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.850226 (E_RNA)
where:
Base-Base interactions energy: -108.604
where: short stacking energy: -42.652
Base-Backbone interact. energy: -0.788
local terms energy: -61.458302
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -9.619
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: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -163.717262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.717262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.717262 (E_RNA)
where:
Base-Base interactions energy: -104.225
where: short stacking energy: -56.424
Base-Backbone interact. energy: -0.016
local terms energy: -59.476242
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -10.122
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: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -94.171035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.171035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.171035 (E_RNA)
where:
Base-Base interactions energy: -35.788
where: short stacking energy: -35.788
Base-Backbone interact. energy: -0.034
local terms energy: -58.349375
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -85.452376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.452376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.452376 (E_RNA)
where:
Base-Base interactions energy: -34.932
where: short stacking energy: -32.020
Base-Backbone interact. energy: -0.106
local terms energy: -50.415001
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -7.103
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -85.754347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.754347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.754347 (E_RNA)
where:
Base-Base interactions energy: -36.027
where: short stacking energy: -36.027
Base-Backbone interact. energy: -0.111
local terms energy: -49.615954
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -90.707464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.707464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.707464 (E_RNA)
where:
Base-Base interactions energy: -37.802
where: short stacking energy: -35.644
Base-Backbone interact. energy: -0.172
local terms energy: -52.733986
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -211.388039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.388039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.388039 (E_RNA)
where:
Base-Base interactions energy: -139.576
where: short stacking energy: -62.975
Base-Backbone interact. energy: -0.017
local terms energy: -71.794716
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -198.802680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.802680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.802680 (E_RNA)
where:
Base-Base interactions energy: -131.038
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.037
local terms energy: -67.727241
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -202.957494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.957494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.957494 (E_RNA)
where:
Base-Base interactions energy: -131.256
where: short stacking energy: -66.013
Base-Backbone interact. energy: -0.053
local terms energy: -71.648433
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -169.755597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.755597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.755597 (E_RNA)
where:
Base-Base interactions energy: -96.615
where: short stacking energy: -69.209
Base-Backbone interact. energy: -0.028
local terms energy: -73.112620
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -13.269
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: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -145.611033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.611033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.611033 (E_RNA)
where:
Base-Base interactions energy: -94.465
where: short stacking energy: -41.776
Base-Backbone interact. energy: -0.295
local terms energy: -50.850928
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -163.347986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.347986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.347986 (E_RNA)
where:
Base-Base interactions energy: -101.970
where: short stacking energy: -47.455
Base-Backbone interact. energy: -0.476
local terms energy: -60.902056
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -10.810
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: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -89.881520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.881520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.881520 (E_RNA)
where:
Base-Base interactions energy: -47.425
where: short stacking energy: -33.525
Base-Backbone interact. energy: 0.506
local terms energy: -42.963138
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -3.183
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: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -101.873286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.873286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.873286 (E_RNA)
where:
Base-Base interactions energy: -52.397
where: short stacking energy: -30.722
Base-Backbone interact. energy: 0.286
local terms energy: -49.762208
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -84.830898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.830898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.830898 (E_RNA)
where:
Base-Base interactions energy: -28.481
where: short stacking energy: -27.545
Base-Backbone interact. energy: -0.190
local terms energy: -56.159815
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -6.515
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: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -70.624594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.624594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.624594 (E_RNA)
where:
Base-Base interactions energy: -26.881
where: short stacking energy: -25.292
Base-Backbone interact. energy: -0.180
local terms energy: -43.562994
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: 0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -205.290933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.290933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.290933 (E_RNA)
where:
Base-Base interactions energy: -129.447
where: short stacking energy: -60.213
Base-Backbone interact. energy: -0.035
local terms energy: -75.808685
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -190.469933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.469933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.469933 (E_RNA)
where:
Base-Base interactions energy: -120.526
where: short stacking energy: -61.542
Base-Backbone interact. energy: -0.075
local terms energy: -69.868750
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -9.174
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -8.920
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: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -172.071823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.071823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.071823 (E_RNA)
where:
Base-Base interactions energy: -102.820
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.065
local terms energy: -69.186297
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -198.226487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.226487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.226487 (E_RNA)
where:
Base-Base interactions energy: -130.597
where: short stacking energy: -56.132
Base-Backbone interact. energy: -0.074
local terms energy: -67.555069
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -160.805891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.805891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.805891 (E_RNA)
where:
Base-Base interactions energy: -103.899
where: short stacking energy: -51.900
Base-Backbone interact. energy: -0.562
local terms energy: -56.344936
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -7.680
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: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -143.482184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.482184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.482184 (E_RNA)
where:
Base-Base interactions energy: -95.726
where: short stacking energy: -44.522
Base-Backbone interact. energy: -0.112
local terms energy: -47.643991
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -91.980207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.980207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.980207 (E_RNA)
where:
Base-Base interactions energy: -51.573
where: short stacking energy: -33.674
Base-Backbone interact. energy: -0.101
local terms energy: -40.305395
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: 2.362
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: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -85.931804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.931804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.931804 (E_RNA)
where:
Base-Base interactions energy: -35.225
where: short stacking energy: -35.225
Base-Backbone interact. energy: -0.027
local terms energy: -50.679603
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -9.514
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -88.080250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.080250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.080250 (E_RNA)
where:
Base-Base interactions energy: -37.091
where: short stacking energy: -36.968
Base-Backbone interact. energy: -0.012
local terms energy: -50.976868
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -3.621
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: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -68.691827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.691827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.691827 (E_RNA)
where:
Base-Base interactions energy: -24.890
where: short stacking energy: -16.537
Base-Backbone interact. energy: -0.090
local terms energy: -43.711865
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: 4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -200.486046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.486046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.486046 (E_RNA)
where:
Base-Base interactions energy: -131.596
where: short stacking energy: -52.865
Base-Backbone interact. energy: -0.050
local terms energy: -68.840640
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -196.917384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.917384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.917384 (E_RNA)
where:
Base-Base interactions energy: -121.248
where: short stacking energy: -64.496
Base-Backbone interact. energy: 1.672
local terms energy: -77.341317
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -16.069
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: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -169.112775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.112775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.112775 (E_RNA)
where:
Base-Base interactions energy: -104.075
where: short stacking energy: -52.031
Base-Backbone interact. energy: -0.260
local terms energy: -64.777503
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -174.019770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.019770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.019770 (E_RNA)
where:
Base-Base interactions energy: -111.592
where: short stacking energy: -47.425
Base-Backbone interact. energy: -1.307
local terms energy: -61.121094
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -165.160617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.160617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.160617 (E_RNA)
where:
Base-Base interactions energy: -109.348
where: short stacking energy: -46.721
Base-Backbone interact. energy: -0.078
local terms energy: -55.735233
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -8.213
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: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -167.763488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.763488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.763488 (E_RNA)
where:
Base-Base interactions energy: -110.624
where: short stacking energy: -58.282
Base-Backbone interact. energy: -0.007
local terms energy: -57.131993
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -11.489
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: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -106.966906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.966906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.966906 (E_RNA)
where:
Base-Base interactions energy: -53.669
where: short stacking energy: -33.355
Base-Backbone interact. energy: -0.274
local terms energy: -53.024254
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -88.518828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.518828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.518828 (E_RNA)
where:
Base-Base interactions energy: -34.570
where: short stacking energy: -33.736
Base-Backbone interact. energy: -0.044
local terms energy: -53.905656
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -3.481
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: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -77.853771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.853771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.853771 (E_RNA)
where:
Base-Base interactions energy: -28.984
where: short stacking energy: -27.151
Base-Backbone interact. energy: -0.127
local terms energy: -48.743588
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -81.339413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.339413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.339413 (E_RNA)
where:
Base-Base interactions energy: -34.404
where: short stacking energy: -24.524
Base-Backbone interact. energy: -0.043
local terms energy: -46.892094
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -197.527714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.527714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.527714 (E_RNA)
where:
Base-Base interactions energy: -127.306
where: short stacking energy: -58.031
Base-Backbone interact. energy: -0.036
local terms energy: -70.185934
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -15.907
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: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -187.015506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.015506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.015506 (E_RNA)
where:
Base-Base interactions energy: -114.814
where: short stacking energy: -64.681
Base-Backbone interact. energy: -0.001
local terms energy: -72.201062
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -18.766
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: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -172.974580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.974580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.974580 (E_RNA)
where:
Base-Base interactions energy: -108.873
where: short stacking energy: -48.872
Base-Backbone interact. energy: -0.010
local terms energy: -64.091302
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -164.614607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.614607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.614607 (E_RNA)
where:
Base-Base interactions energy: -103.089
where: short stacking energy: -51.907
Base-Backbone interact. energy: -0.870
local terms energy: -60.655561
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -5.450
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: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -173.962456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.962456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.962456 (E_RNA)
where:
Base-Base interactions energy: -104.354
where: short stacking energy: -58.745
Base-Backbone interact. energy: -0.072
local terms energy: -69.535975
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -159.628609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.628609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.628609 (E_RNA)
where:
Base-Base interactions energy: -96.051
where: short stacking energy: -33.564
Base-Backbone interact. energy: -0.765
local terms energy: -62.812286
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -96.206468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.206468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.206468 (E_RNA)
where:
Base-Base interactions energy: -36.190
where: short stacking energy: -33.171
Base-Backbone interact. energy: -0.129
local terms energy: -59.886937
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -87.031525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.031525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.031525 (E_RNA)
where:
Base-Base interactions energy: -33.591
where: short stacking energy: -29.274
Base-Backbone interact. energy: -1.093
local terms energy: -52.347049
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -88.949936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.949936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.949936 (E_RNA)
where:
Base-Base interactions energy: -37.586
where: short stacking energy: -30.616
Base-Backbone interact. energy: -0.095
local terms energy: -51.268180
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -76.965775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.965775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.965775 (E_RNA)
where:
Base-Base interactions energy: -31.424
where: short stacking energy: -29.664
Base-Backbone interact. energy: 1.019
local terms energy: -46.560224
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -9.427
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -2.366
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -197.061783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.061783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.061783 (E_RNA)
where:
Base-Base interactions energy: -122.295
where: short stacking energy: -65.079
Base-Backbone interact. energy: -0.468
local terms energy: -74.298060
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -8.666
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: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -192.112602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.112602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.112602 (E_RNA)
where:
Base-Base interactions energy: -124.348
where: short stacking energy: -61.275
Base-Backbone interact. energy: -0.010
local terms energy: -67.755314
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -13.997
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: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -173.087926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.087926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.087926 (E_RNA)
where:
Base-Base interactions energy: -105.867
where: short stacking energy: -64.339
Base-Backbone interact. energy: -0.194
local terms energy: -67.027036
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -11.223
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -174.248226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.248226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.248226 (E_RNA)
where:
Base-Base interactions energy: -112.095
where: short stacking energy: -63.721
Base-Backbone interact. energy: -0.003
local terms energy: -62.150360
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -162.993805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.993805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.993805 (E_RNA)
where:
Base-Base interactions energy: -89.303
where: short stacking energy: -53.448
Base-Backbone interact. energy: -0.048
local terms energy: -73.642450
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -145.449304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.449304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.449304 (E_RNA)
where:
Base-Base interactions energy: -87.376
where: short stacking energy: -42.500
Base-Backbone interact. energy: -0.578
local terms energy: -57.494664
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -90.415556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.415556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.415556 (E_RNA)
where:
Base-Base interactions energy: -37.380
where: short stacking energy: -24.131
Base-Backbone interact. energy: -0.526
local terms energy: -52.508654
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: 3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -84.937352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.937352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.937352 (E_RNA)
where:
Base-Base interactions energy: -42.987
where: short stacking energy: -21.019
Base-Backbone interact. energy: -0.159
local terms energy: -41.791855
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: 3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -87.675759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.675759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.675759 (E_RNA)
where:
Base-Base interactions energy: -32.714
where: short stacking energy: -25.232
Base-Backbone interact. energy: -0.171
local terms energy: -54.790154
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -1.658
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: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -86.622989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.622989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.622989 (E_RNA)
where:
Base-Base interactions energy: -30.143
where: short stacking energy: -26.235
Base-Backbone interact. energy: -0.517
local terms energy: -55.962787
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -206.819852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.819852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.819852 (E_RNA)
where:
Base-Base interactions energy: -139.761
where: short stacking energy: -67.665
Base-Backbone interact. energy: -0.079
local terms energy: -66.979616
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -199.801514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.801514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.801514 (E_RNA)
where:
Base-Base interactions energy: -132.118
where: short stacking energy: -63.706
Base-Backbone interact. energy: -0.023
local terms energy: -67.660659
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -10.104
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: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -191.647924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.647924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.647924 (E_RNA)
where:
Base-Base interactions energy: -127.189
where: short stacking energy: -63.874
Base-Backbone interact. energy: -0.106
local terms energy: -64.352924
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -171.231861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.231861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.231861 (E_RNA)
where:
Base-Base interactions energy: -104.893
where: short stacking energy: -50.469
Base-Backbone interact. energy: -1.079
local terms energy: -65.259369
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -164.643461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.643461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.643461 (E_RNA)
where:
Base-Base interactions energy: -97.815
where: short stacking energy: -54.132
Base-Backbone interact. energy: -0.555
local terms energy: -66.274055
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -160.344416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.344416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.344416 (E_RNA)
where:
Base-Base interactions energy: -109.914
where: short stacking energy: -38.772
Base-Backbone interact. energy: -0.044
local terms energy: -50.386788
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -10.962
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: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -90.865538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.865538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.865538 (E_RNA)
where:
Base-Base interactions energy: -36.684
where: short stacking energy: -25.151
Base-Backbone interact. energy: -0.632
local terms energy: -53.549874
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -84.840522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.840522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.840522 (E_RNA)
where:
Base-Base interactions energy: -30.413
where: short stacking energy: -21.989
Base-Backbone interact. energy: -0.322
local terms energy: -54.105997
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: 2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -99.793713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.793713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.793713 (E_RNA)
where:
Base-Base interactions energy: -38.920
where: short stacking energy: -38.626
Base-Backbone interact. energy: -0.183
local terms energy: -60.691224
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -82.579153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.579153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.579153 (E_RNA)
where:
Base-Base interactions energy: -28.651
where: short stacking energy: -28.651
Base-Backbone interact. energy: -0.281
local terms energy: -53.647160
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -200.339698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.339698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.339698 (E_RNA)
where:
Base-Base interactions energy: -131.978
where: short stacking energy: -57.528
Base-Backbone interact. energy: -0.018
local terms energy: -68.343562
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.412
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: 2, replica: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -200.358446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.358446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.358446 (E_RNA)
where:
Base-Base interactions energy: -125.662
where: short stacking energy: -70.794
Base-Backbone interact. energy: -0.095
local terms energy: -74.600937
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -186.772649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.772649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.772649 (E_RNA)
where:
Base-Base interactions energy: -118.896
where: short stacking energy: -56.598
Base-Backbone interact. energy: 0.418
local terms energy: -68.294765
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -9.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -175.032638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.032638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.032638 (E_RNA)
where:
Base-Base interactions energy: -111.856
where: short stacking energy: -43.381
Base-Backbone interact. energy: 0.445
local terms energy: -63.621605
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -162.675137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.675137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.675137 (E_RNA)
where:
Base-Base interactions energy: -96.344
where: short stacking energy: -52.892
Base-Backbone interact. energy: -1.166
local terms energy: -65.164481
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -12.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -164.044853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.044853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.044853 (E_RNA)
where:
Base-Base interactions energy: -110.007
where: short stacking energy: -55.590
Base-Backbone interact. energy: 0.339
local terms energy: -54.376254
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -98.666017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.666017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.666017 (E_RNA)
where:
Base-Base interactions energy: -52.622
where: short stacking energy: -34.135
Base-Backbone interact. energy: 0.779
local terms energy: -46.822969
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -4.634
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -3.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -83.506189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.506189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.506189 (E_RNA)
where:
Base-Base interactions energy: -31.084
where: short stacking energy: -27.490
Base-Backbone interact. energy: -0.269
local terms energy: -52.153474
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -100.076074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.076074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.076074 (E_RNA)
where:
Base-Base interactions energy: -43.182
where: short stacking energy: -38.154
Base-Backbone interact. energy: -0.172
local terms energy: -56.721660
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -72.591004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.591004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.591004 (E_RNA)
where:
Base-Base interactions energy: -29.895
where: short stacking energy: -29.895
Base-Backbone interact. energy: -0.008
local terms energy: -42.687385
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -1.214
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -186.939441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.939441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.939441 (E_RNA)
where:
Base-Base interactions energy: -115.821
where: short stacking energy: -65.978
Base-Backbone interact. energy: -0.084
local terms energy: -71.033822
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -196.392175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.392175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.392175 (E_RNA)
where:
Base-Base interactions energy: -133.242
where: short stacking energy: -68.399
Base-Backbone interact. energy: -0.020
local terms energy: -63.130829
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -14.497
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: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -177.201020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.201020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.201020 (E_RNA)
where:
Base-Base interactions energy: -118.093
where: short stacking energy: -44.978
Base-Backbone interact. energy: -1.306
local terms energy: -57.802698
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -8.231
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: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -173.671584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.671584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.671584 (E_RNA)
where:
Base-Base interactions energy: -112.325
where: short stacking energy: -42.691
Base-Backbone interact. energy: -0.101
local terms energy: -61.246389
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -9.711
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: 256
Temperature: 1.100000
Total energy: -165.409259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.409259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.409259 (E_RNA)
where:
Base-Base interactions energy: -102.758
where: short stacking energy: -52.297
Base-Backbone interact. energy: 0.498
local terms energy: -63.149452
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -146.544052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.544052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.544052 (E_RNA)
where:
Base-Base interactions energy: -91.357
where: short stacking energy: -42.045
Base-Backbone interact. energy: 0.048
local terms energy: -55.234790
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -94.148159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.148159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.148159 (E_RNA)
where:
Base-Base interactions energy: -35.243
where: short stacking energy: -35.243
Base-Backbone interact. energy: 0.103
local terms energy: -59.007444
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -79.772242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.772242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.772242 (E_RNA)
where:
Base-Base interactions energy: -25.946
where: short stacking energy: -25.946
Base-Backbone interact. energy: -0.746
local terms energy: -53.080467
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -4.060
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -81.536581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.536581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.536581 (E_RNA)
where:
Base-Base interactions energy: -27.846
where: short stacking energy: -27.846
Base-Backbone interact. energy: -0.013
local terms energy: -53.677557
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -6.382
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: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -82.895827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.895827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.895827 (E_RNA)
where:
Base-Base interactions energy: -37.899
where: short stacking energy: -31.606
Base-Backbone interact. energy: -0.158
local terms energy: -44.838157
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -6.174
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -3.620
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: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -188.961614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.961614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.961614 (E_RNA)
where:
Base-Base interactions energy: -121.935
where: short stacking energy: -61.426
Base-Backbone interact. energy: -0.690
local terms energy: -66.336736
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -11.775
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: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -174.418990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.418990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.418990 (E_RNA)
where:
Base-Base interactions energy: -105.623
where: short stacking energy: -49.693
Base-Backbone interact. energy: -0.081
local terms energy: -68.715305
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -10.175
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: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -198.178696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.178696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.178696 (E_RNA)
where:
Base-Base interactions energy: -131.526
where: short stacking energy: -59.164
Base-Backbone interact. energy: -0.317
local terms energy: -66.335711
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.659
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: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -161.532218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.532218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.532218 (E_RNA)
where:
Base-Base interactions energy: -94.352
where: short stacking energy: -46.520
Base-Backbone interact. energy: -0.012
local terms energy: -67.168874
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -12.447
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: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -179.497786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.497786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.497786 (E_RNA)
where:
Base-Base interactions energy: -114.357
where: short stacking energy: -61.530
Base-Backbone interact. energy: 0.044
local terms energy: -65.184996
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -12.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -146.831325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.831325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.831325 (E_RNA)
where:
Base-Base interactions energy: -92.982
where: short stacking energy: -40.664
Base-Backbone interact. energy: -0.841
local terms energy: -53.008001
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -83.469288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.469288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.469288 (E_RNA)
where:
Base-Base interactions energy: -34.917
where: short stacking energy: -33.602
Base-Backbone interact. energy: -0.063
local terms energy: -48.489074
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -84.445669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.445669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.445669 (E_RNA)
where:
Base-Base interactions energy: -33.107
where: short stacking energy: -33.107
Base-Backbone interact. energy: -0.026
local terms energy: -51.312935
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -82.697327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.697327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.697327 (E_RNA)
where:
Base-Base interactions energy: -27.198
where: short stacking energy: -26.783
Base-Backbone interact. energy: 0.297
local terms energy: -55.795925
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -89.363433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.363433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.363433 (E_RNA)
where:
Base-Base interactions energy: -35.757
where: short stacking energy: -34.734
Base-Backbone interact. energy: -0.423
local terms energy: -53.184359
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: 0.066
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -213.075094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.075094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.075094 (E_RNA)
where:
Base-Base interactions energy: -141.634
where: short stacking energy: -65.647
Base-Backbone interact. energy: -0.034
local terms energy: -71.406601
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -195.717506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.717506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.717506 (E_RNA)
where:
Base-Base interactions energy: -126.641
where: short stacking energy: -66.936
Base-Backbone interact. energy: -0.009
local terms energy: -69.067071
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -18.217
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: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -161.057070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.057070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.057070 (E_RNA)
where:
Base-Base interactions energy: -93.088
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.375
local terms energy: -67.593325
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -14.961
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: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -182.660741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.660741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.660741 (E_RNA)
where:
Base-Base interactions energy: -118.198
where: short stacking energy: -61.166
Base-Backbone interact. energy: 1.723
local terms energy: -66.185852
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -15.483
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: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -146.971273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.971273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.971273 (E_RNA)
where:
Base-Base interactions energy: -94.745
where: short stacking energy: -44.685
Base-Backbone interact. energy: -0.677
local terms energy: -51.549283
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -167.885187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.885187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.885187 (E_RNA)
where:
Base-Base interactions energy: -103.454
where: short stacking energy: -52.136
Base-Backbone interact. energy: -0.663
local terms energy: -63.768418
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -10.417
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -11.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -99.609898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.609898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.609898 (E_RNA)
where:
Base-Base interactions energy: -42.939
where: short stacking energy: -42.939
Base-Backbone interact. energy: -0.174
local terms energy: -56.496371
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -95.142812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.142812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.142812 (E_RNA)
where:
Base-Base interactions energy: -34.172
where: short stacking energy: -34.172
Base-Backbone interact. energy: -0.025
local terms energy: -60.946610
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -2.408
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: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -80.822703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.822703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.822703 (E_RNA)
where:
Base-Base interactions energy: -26.427
where: short stacking energy: -25.882
Base-Backbone interact. energy: 0.328
local terms energy: -54.723772
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -82.627806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.627806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.627806 (E_RNA)
where:
Base-Base interactions energy: -30.694
where: short stacking energy: -30.694
Base-Backbone interact. energy: -0.127
local terms energy: -51.806653
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -194.372479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.372479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.372479 (E_RNA)
where:
Base-Base interactions energy: -123.642
where: short stacking energy: -59.753
Base-Backbone interact. energy: -1.544
local terms energy: -69.186020
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -9.907
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: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -185.573235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.573235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.573235 (E_RNA)
where:
Base-Base interactions energy: -115.526
where: short stacking energy: -61.601
Base-Backbone interact. energy: 2.383
local terms energy: -72.430191
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -168.427916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.427916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.427916 (E_RNA)
where:
Base-Base interactions energy: -106.205
where: short stacking energy: -63.541
Base-Backbone interact. energy: -0.005
local terms energy: -62.217887
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -173.327209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.327209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.327209 (E_RNA)
where:
Base-Base interactions energy: -112.371
where: short stacking energy: -56.383
Base-Backbone interact. energy: -0.003
local terms energy: -60.953385
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -179.117463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.117463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.117463 (E_RNA)
where:
Base-Base interactions energy: -117.487
where: short stacking energy: -62.526
Base-Backbone interact. energy: -0.031
local terms energy: -61.599278
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -11.350
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: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -163.864510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.864510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.864510 (E_RNA)
where:
Base-Base interactions energy: -106.883
where: short stacking energy: -47.511
Base-Backbone interact. energy: -0.875
local terms energy: -56.106471
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -8.693
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: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -88.085971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.085971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.085971 (E_RNA)
where:
Base-Base interactions energy: -39.066
where: short stacking energy: -28.583
Base-Backbone interact. energy: -0.046
local terms energy: -48.974058
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -91.149513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.149513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.149513 (E_RNA)
where:
Base-Base interactions energy: -40.372
where: short stacking energy: -36.081
Base-Backbone interact. energy: 1.595
local terms energy: -52.372580
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -79.276735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.276735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.276735 (E_RNA)
where:
Base-Base interactions energy: -28.431
where: short stacking energy: -27.569
Base-Backbone interact. energy: 0.750
local terms energy: -51.595683
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -89.114022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.114022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.114022 (E_RNA)
where:
Base-Base interactions energy: -43.615
where: short stacking energy: -31.546
Base-Backbone interact. energy: 2.544
local terms energy: -48.042974
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -6.932
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -207.349902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.349902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.349902 (E_RNA)
where:
Base-Base interactions energy: -138.007
where: short stacking energy: -59.254
Base-Backbone interact. energy: -0.001
local terms energy: -69.341956
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -169.917604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.917604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.917604 (E_RNA)
where:
Base-Base interactions energy: -97.615
where: short stacking energy: -52.588
Base-Backbone interact. energy: -0.620
local terms energy: -71.682141
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -13.276
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: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -181.651895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.651895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.651895 (E_RNA)
where:
Base-Base interactions energy: -112.779
where: short stacking energy: -64.132
Base-Backbone interact. energy: -1.182
local terms energy: -67.691431
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -11.045
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: 4, replica: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -161.297854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.297854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.297854 (E_RNA)
where:
Base-Base interactions energy: -95.343
where: short stacking energy: -51.938
Base-Backbone interact. energy: -0.050
local terms energy: -65.904417
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -151.627166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.627166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.627166 (E_RNA)
where:
Base-Base interactions energy: -100.929
where: short stacking energy: -47.388
Base-Backbone interact. energy: -0.073
local terms energy: -50.625284
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -8.771
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: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -158.257568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.257568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.257568 (E_RNA)
where:
Base-Base interactions energy: -91.887
where: short stacking energy: -45.993
Base-Backbone interact. energy: -0.038
local terms energy: -66.332292
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -8.899
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: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -113.599271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.599271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.599271 (E_RNA)
where:
Base-Base interactions energy: -67.333
where: short stacking energy: -31.221
Base-Backbone interact. energy: -0.493
local terms energy: -45.772524
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -5.501
flat angles P-C4'-P energy: -3.842
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: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -82.641967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.641967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.641967 (E_RNA)
where:
Base-Base interactions energy: -30.709
where: short stacking energy: -28.750
Base-Backbone interact. energy: -0.119
local terms energy: -51.814368
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -9.006
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -79.133061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.133061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.133061 (E_RNA)
where:
Base-Base interactions energy: -25.182
where: short stacking energy: -22.927
Base-Backbone interact. energy: -0.355
local terms energy: -53.595461
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -86.089078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.089078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.089078 (E_RNA)
where:
Base-Base interactions energy: -38.046
where: short stacking energy: -24.932
Base-Backbone interact. energy: -0.835
local terms energy: -47.207977
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: 1.622
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: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -211.951787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.951787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.951787 (E_RNA)
where:
Base-Base interactions energy: -144.961
where: short stacking energy: -58.959
Base-Backbone interact. energy: -0.013
local terms energy: -66.977530
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -185.867815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.867815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.867815 (E_RNA)
where:
Base-Base interactions energy: -110.956
where: short stacking energy: -58.545
Base-Backbone interact. energy: -0.543
local terms energy: -74.368604
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -178.667487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.667487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.667487 (E_RNA)
where:
Base-Base interactions energy: -121.584
where: short stacking energy: -50.755
Base-Backbone interact. energy: -1.406
local terms energy: -55.677465
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -8.694
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -183.861363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.861363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.861363 (E_RNA)
where:
Base-Base interactions energy: -117.451
where: short stacking energy: -51.161
Base-Backbone interact. energy: -0.112
local terms energy: -66.298443
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -10.207
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: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -164.179523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.179523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.179523 (E_RNA)
where:
Base-Base interactions energy: -101.571
where: short stacking energy: -49.867
Base-Backbone interact. energy: -0.189
local terms energy: -62.419743
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -10.188
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: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -161.573231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.573231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.573231 (E_RNA)
where:
Base-Base interactions energy: -100.835
where: short stacking energy: -36.708
Base-Backbone interact. energy: -0.677
local terms energy: -60.061022
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -107.987567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.987567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.987567 (E_RNA)
where:
Base-Base interactions energy: -53.108
where: short stacking energy: -32.410
Base-Backbone interact. energy: -0.127
local terms energy: -54.752564
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -3.405
tors. eta vs tors. theta energy: -7.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -92.572537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.572537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.572537 (E_RNA)
where:
Base-Base interactions energy: -36.531
where: short stacking energy: -32.924
Base-Backbone interact. energy: -0.037
local terms energy: -56.004889
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -9.505
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -9.351
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: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -82.779512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.779512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.779512 (E_RNA)
where:
Base-Base interactions energy: -42.459
where: short stacking energy: -31.653
Base-Backbone interact. energy: -0.218
local terms energy: -40.102532
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: 0.539
tors. eta vs tors. theta energy: 1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -84.112778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.112778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.112778 (E_RNA)
where:
Base-Base interactions energy: -32.122
where: short stacking energy: -32.122
Base-Backbone interact. energy: -0.197
local terms energy: -51.793831
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -11.124
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: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -201.607454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.607454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.607454 (E_RNA)
where:
Base-Base interactions energy: -125.173
where: short stacking energy: -60.745
Base-Backbone interact. energy: -0.085
local terms energy: -76.349570
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -188.077477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.077477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.077477 (E_RNA)
where:
Base-Base interactions energy: -118.732
where: short stacking energy: -69.980
Base-Backbone interact. energy: -0.670
local terms energy: -68.676020
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -4.958
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: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -179.962699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.962699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.962699 (E_RNA)
where:
Base-Base interactions energy: -110.235
where: short stacking energy: -51.526
Base-Backbone interact. energy: -0.055
local terms energy: -69.672048
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -9.723
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: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -194.341449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.341449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.341449 (E_RNA)
where:
Base-Base interactions energy: -134.714
where: short stacking energy: -60.311
Base-Backbone interact. energy: -0.780
local terms energy: -58.847617
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -153.105570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.105570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.105570 (E_RNA)
where:
Base-Base interactions energy: -89.428
where: short stacking energy: -48.650
Base-Backbone interact. energy: -0.683
local terms energy: -62.994663
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -9.416
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: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -163.341952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.341952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.341952 (E_RNA)
where:
Base-Base interactions energy: -95.984
where: short stacking energy: -47.906
Base-Backbone interact. energy: -0.222
local terms energy: -67.136076
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -95.624615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.624615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.624615 (E_RNA)
where:
Base-Base interactions energy: -39.135
where: short stacking energy: -38.754
Base-Backbone interact. energy: -0.200
local terms energy: -56.289812
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -83.865963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.865963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.865963 (E_RNA)
where:
Base-Base interactions energy: -35.067
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.132
local terms energy: -48.667311
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -10.435
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -4.586
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: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -89.087281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.087281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.087281 (E_RNA)
where:
Base-Base interactions energy: -38.072
where: short stacking energy: -38.072
Base-Backbone interact. energy: -0.037
local terms energy: -50.977684
where:
bonds (distance) C4'-P energy: -6.838
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -77.764073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.764073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.764073 (E_RNA)
where:
Base-Base interactions energy: -34.868
where: short stacking energy: -27.277
Base-Backbone interact. energy: -0.124
local terms energy: -42.772782
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: 1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -201.869480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.869480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.869480 (E_RNA)
where:
Base-Base interactions energy: -131.117
where: short stacking energy: -56.561
Base-Backbone interact. energy: 0.106
local terms energy: -70.858497
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -9.884
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: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -178.310506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.310506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.310506 (E_RNA)
where:
Base-Base interactions energy: -105.885
where: short stacking energy: -47.025
Base-Backbone interact. energy: -0.347
local terms energy: -72.079362
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -170.661963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.661963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.661963 (E_RNA)
where:
Base-Base interactions energy: -100.482
where: short stacking energy: -60.499
Base-Backbone interact. energy: -0.026
local terms energy: -70.154509
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -13.074
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: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -174.669300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.669300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.669300 (E_RNA)
where:
Base-Base interactions energy: -107.631
where: short stacking energy: -57.651
Base-Backbone interact. energy: -0.011
local terms energy: -67.027224
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -10.930
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: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -162.530216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.530216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.530216 (E_RNA)
where:
Base-Base interactions energy: -103.263
where: short stacking energy: -47.438
Base-Backbone interact. energy: -0.216
local terms energy: -59.051366
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -10.867
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: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -151.755706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.755706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.755706 (E_RNA)
where:
Base-Base interactions energy: -89.591
where: short stacking energy: -51.290
Base-Backbone interact. energy: -0.061
local terms energy: -62.104021
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -91.300499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.300499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.300499 (E_RNA)
where:
Base-Base interactions energy: -39.026
where: short stacking energy: -34.919
Base-Backbone interact. energy: -0.164
local terms energy: -52.110955
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -93.141708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.141708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.141708 (E_RNA)
where:
Base-Base interactions energy: -40.781
where: short stacking energy: -40.781
Base-Backbone interact. energy: 0.194
local terms energy: -52.555148
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -74.667381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.667381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.667381 (E_RNA)
where:
Base-Base interactions energy: -23.804
where: short stacking energy: -19.459
Base-Backbone interact. energy: 0.141
local terms energy: -51.003933
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: 1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -94.186331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.186331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.186331 (E_RNA)
where:
Base-Base interactions energy: -32.871
where: short stacking energy: -30.536
Base-Backbone interact. energy: -0.190
local terms energy: -61.125360
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -11.422
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: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -196.374545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.374545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.374545 (E_RNA)
where:
Base-Base interactions energy: -128.090
where: short stacking energy: -52.188
Base-Backbone interact. energy: -0.008
local terms energy: -68.276580
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -11.265
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: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -198.980063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.980063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.980063 (E_RNA)
where:
Base-Base interactions energy: -129.997
where: short stacking energy: -59.945
Base-Backbone interact. energy: -0.041
local terms energy: -68.942176
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -11.650
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: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -184.882226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.882226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.882226 (E_RNA)
where:
Base-Base interactions energy: -121.049
where: short stacking energy: -57.160
Base-Backbone interact. energy: -0.856
local terms energy: -62.977383
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -15.016
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: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -165.967349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.967349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.967349 (E_RNA)
where:
Base-Base interactions energy: -105.042
where: short stacking energy: -65.076
Base-Backbone interact. energy: -0.103
local terms energy: -60.822593
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -3.631
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: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -184.120533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.120533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.120533 (E_RNA)
where:
Base-Base interactions energy: -120.561
where: short stacking energy: -57.743
Base-Backbone interact. energy: -0.105
local terms energy: -63.455160
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -154.297876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.297876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.297876 (E_RNA)
where:
Base-Base interactions energy: -93.736
where: short stacking energy: -41.878
Base-Backbone interact. energy: 0.422
local terms energy: -60.984303
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -85.894940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.894940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.894940 (E_RNA)
where:
Base-Base interactions energy: -33.743
where: short stacking energy: -29.885
Base-Backbone interact. energy: -0.032
local terms energy: -52.119700
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -84.930593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.930593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.930593 (E_RNA)
where:
Base-Base interactions energy: -37.225
where: short stacking energy: -34.231
Base-Backbone interact. energy: -0.066
local terms energy: -47.639265
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -84.664212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.664212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.664212 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -24.093
Base-Backbone interact. energy: 0.611
local terms energy: -55.881595
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -79.119542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.119542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.119542 (E_RNA)
where:
Base-Base interactions energy: -29.276
where: short stacking energy: -24.816
Base-Backbone interact. energy: -0.178
local terms energy: -49.665627
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -5.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -192.846783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.846783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.846783 (E_RNA)
where:
Base-Base interactions energy: -124.050
where: short stacking energy: -60.045
Base-Backbone interact. energy: 0.216
local terms energy: -69.012872
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -9.227
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: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -201.902756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.902756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.902756 (E_RNA)
where:
Base-Base interactions energy: -127.823
where: short stacking energy: -60.340
Base-Backbone interact. energy: -1.001
local terms energy: -73.078615
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -16.977
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: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -182.666127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.666127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.666127 (E_RNA)
where:
Base-Base interactions energy: -119.647
where: short stacking energy: -53.933
Base-Backbone interact. energy: -0.192
local terms energy: -62.827048
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -183.872750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.872750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.872750 (E_RNA)
where:
Base-Base interactions energy: -113.180
where: short stacking energy: -50.095
Base-Backbone interact. energy: -0.213
local terms energy: -70.479175
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -165.832332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.832332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.832332 (E_RNA)
where:
Base-Base interactions energy: -95.766
where: short stacking energy: -57.791
Base-Backbone interact. energy: -0.087
local terms energy: -69.979538
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -146.779966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.779966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.779966 (E_RNA)
where:
Base-Base interactions energy: -94.574
where: short stacking energy: -44.552
Base-Backbone interact. energy: -0.962
local terms energy: -51.243814
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -9.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -102.863472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.863472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.863472 (E_RNA)
where:
Base-Base interactions energy: -44.765
where: short stacking energy: -35.466
Base-Backbone interact. energy: -0.432
local terms energy: -57.667238
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -87.913645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.913645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.913645 (E_RNA)
where:
Base-Base interactions energy: -30.907
where: short stacking energy: -24.236
Base-Backbone interact. energy: -0.194
local terms energy: -56.812773
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -2.527
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: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -84.159836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.159836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.159836 (E_RNA)
where:
Base-Base interactions energy: -29.904
where: short stacking energy: -21.853
Base-Backbone interact. energy: 0.333
local terms energy: -54.589235
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -82.459908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.459908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.459908 (E_RNA)
where:
Base-Base interactions energy: -39.886
where: short stacking energy: -34.254
Base-Backbone interact. energy: -0.056
local terms energy: -42.517510
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -210.043111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.043111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.043111 (E_RNA)
where:
Base-Base interactions energy: -137.435
where: short stacking energy: -62.700
Base-Backbone interact. energy: -2.374
local terms energy: -70.233557
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -12.200
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: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -203.809254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.809254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.809254 (E_RNA)
where:
Base-Base interactions energy: -129.360
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.160
local terms energy: -74.289488
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -9.677
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: 3, replica: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -188.105642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.105642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.105642 (E_RNA)
where:
Base-Base interactions energy: -117.617
where: short stacking energy: -58.549
Base-Backbone interact. energy: -0.089
local terms energy: -70.400170
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -163.601718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.601718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.601718 (E_RNA)
where:
Base-Base interactions energy: -102.088
where: short stacking energy: -55.428
Base-Backbone interact. energy: -0.013
local terms energy: -61.501074
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -10.328
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: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -166.358721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.358721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.358721 (E_RNA)
where:
Base-Base interactions energy: -103.670
where: short stacking energy: -50.821
Base-Backbone interact. energy: -0.119
local terms energy: -62.569629
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -154.944137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.944137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.944137 (E_RNA)
where:
Base-Base interactions energy: -92.396
where: short stacking energy: -52.660
Base-Backbone interact. energy: -0.053
local terms energy: -62.495037
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -14.054
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: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -91.502817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.502817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.502817 (E_RNA)
where:
Base-Base interactions energy: -37.269
where: short stacking energy: -33.664
Base-Backbone interact. energy: -0.122
local terms energy: -54.112081
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -93.424510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.424510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.424510 (E_RNA)
where:
Base-Base interactions energy: -34.825
where: short stacking energy: -27.674
Base-Backbone interact. energy: -0.162
local terms energy: -58.437779
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -73.056584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.056584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.056584 (E_RNA)
where:
Base-Base interactions energy: -24.184
where: short stacking energy: -23.021
Base-Backbone interact. energy: -0.239
local terms energy: -48.633537
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -5.861
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -79.104205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.104205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.104205 (E_RNA)
where:
Base-Base interactions energy: -27.336
where: short stacking energy: -26.891
Base-Backbone interact. energy: -0.229
local terms energy: -51.539343
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: 1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -202.694787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.694787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.694787 (E_RNA)
where:
Base-Base interactions energy: -134.411
where: short stacking energy: -59.458
Base-Backbone interact. energy: -1.938
local terms energy: -66.345474
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -13.639
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: 267
Temperature: 0.950000
Total energy: -198.235545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.235545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.235545 (E_RNA)
where:
Base-Base interactions energy: -134.454
where: short stacking energy: -56.421
Base-Backbone interact. energy: -0.573
local terms energy: -63.208801
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -188.792581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.792581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.792581 (E_RNA)
where:
Base-Base interactions energy: -124.438
where: short stacking energy: -50.668
Base-Backbone interact. energy: -0.523
local terms energy: -63.831158
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -13.060
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: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -186.723328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.723328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.723328 (E_RNA)
where:
Base-Base interactions energy: -114.762
where: short stacking energy: -66.772
Base-Backbone interact. energy: -0.241
local terms energy: -71.720632
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -161.131743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.131743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.131743 (E_RNA)
where:
Base-Base interactions energy: -95.249
where: short stacking energy: -54.054
Base-Backbone interact. energy: -0.254
local terms energy: -65.628687
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -167.542284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.542284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.542284 (E_RNA)
where:
Base-Base interactions energy: -101.465
where: short stacking energy: -48.641
Base-Backbone interact. energy: -1.006
local terms energy: -65.070994
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -10.666
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: 7, replica: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -100.726205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.726205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.726205 (E_RNA)
where:
Base-Base interactions energy: -56.917
where: short stacking energy: -32.117
Base-Backbone interact. energy: -0.944
local terms energy: -42.865449
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -4.242
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -97.775707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.775707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.775707 (E_RNA)
where:
Base-Base interactions energy: -44.244
where: short stacking energy: -39.149
Base-Backbone interact. energy: -0.165
local terms energy: -53.367171
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -95.092379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.092379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.092379 (E_RNA)
where:
Base-Base interactions energy: -42.828
where: short stacking energy: -37.376
Base-Backbone interact. energy: -1.006
local terms energy: -51.258334
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -2.747
tors. eta vs tors. theta energy: -7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -83.568620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.568620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.568620 (E_RNA)
where:
Base-Base interactions energy: -39.610
where: short stacking energy: -18.062
Base-Backbone interact. energy: -0.198
local terms energy: -43.761150
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: 0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -194.411672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.411672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.411672 (E_RNA)
where:
Base-Base interactions energy: -122.028
where: short stacking energy: -59.733
Base-Backbone interact. energy: -0.064
local terms energy: -72.319929
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -192.923531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.923531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.923531 (E_RNA)
where:
Base-Base interactions energy: -123.677
where: short stacking energy: -59.568
Base-Backbone interact. energy: -0.192
local terms energy: -69.054076
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -178.728312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.728312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.728312 (E_RNA)
where:
Base-Base interactions energy: -110.746
where: short stacking energy: -66.858
Base-Backbone interact. energy: -0.212
local terms energy: -67.770167
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -16.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -171.190520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.190520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.190520 (E_RNA)
where:
Base-Base interactions energy: -107.168
where: short stacking energy: -55.076
Base-Backbone interact. energy: -0.003
local terms energy: -64.019174
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -163.987288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.987288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.987288 (E_RNA)
where:
Base-Base interactions energy: -99.715
where: short stacking energy: -54.952
Base-Backbone interact. energy: -0.107
local terms energy: -64.165372
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -11.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -157.851110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.851110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.851110 (E_RNA)
where:
Base-Base interactions energy: -99.702
where: short stacking energy: -47.665
Base-Backbone interact. energy: -0.183
local terms energy: -57.965326
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -106.120626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.120626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.120626 (E_RNA)
where:
Base-Base interactions energy: -49.825
where: short stacking energy: -40.791
Base-Backbone interact. energy: -0.098
local terms energy: -56.197383
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -106.707428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.707428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.707428 (E_RNA)
where:
Base-Base interactions energy: -49.487
where: short stacking energy: -21.327
Base-Backbone interact. energy: -0.399
local terms energy: -56.822151
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -72.475294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.475294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.475294 (E_RNA)
where:
Base-Base interactions energy: -33.971
where: short stacking energy: -32.125
Base-Backbone interact. energy: -0.184
local terms energy: -38.320050
where:
bonds (distance) C4'-P energy: -4.572
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -8.156
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -79.014376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.014376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.014376 (E_RNA)
where:
Base-Base interactions energy: -27.005
where: short stacking energy: -26.024
Base-Backbone interact. energy: -0.177
local terms energy: -51.832536
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: 0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -213.587738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.587738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.587738 (E_RNA)
where:
Base-Base interactions energy: -138.093
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.018
local terms energy: -75.476129
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -18.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -195.441006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.441006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.441006 (E_RNA)
where:
Base-Base interactions energy: -126.206
where: short stacking energy: -62.752
Base-Backbone interact. energy: -0.230
local terms energy: -69.004413
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -194.516992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.516992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.516992 (E_RNA)
where:
Base-Base interactions energy: -133.188
where: short stacking energy: -48.922
Base-Backbone interact. energy: -0.412
local terms energy: -60.916587
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -179.789013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.789013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.789013 (E_RNA)
where:
Base-Base interactions energy: -111.998
where: short stacking energy: -58.267
Base-Backbone interact. energy: -0.096
local terms energy: -67.694525
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -130.554856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.554856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.554856 (E_RNA)
where:
Base-Base interactions energy: -74.236
where: short stacking energy: -42.788
Base-Backbone interact. energy: 0.613
local terms energy: -56.931407
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -157.018106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.018106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.018106 (E_RNA)
where:
Base-Base interactions energy: -90.319
where: short stacking energy: -52.317
Base-Backbone interact. energy: -0.088
local terms energy: -66.610632
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -12.703
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: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -98.383854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.383854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.383854 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -34.592
Base-Backbone interact. energy: -0.095
local terms energy: -63.697175
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -86.979804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.979804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.979804 (E_RNA)
where:
Base-Base interactions energy: -38.499
where: short stacking energy: -33.796
Base-Backbone interact. energy: -0.221
local terms energy: -48.259950
where:
bonds (distance) C4'-P energy: -6.329
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -5.218
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: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -100.464290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.464290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.464290 (E_RNA)
where:
Base-Base interactions energy: -49.360
where: short stacking energy: -26.016
Base-Backbone interact. energy: 1.074
local terms energy: -52.178506
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -75.161737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.161737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.161737 (E_RNA)
where:
Base-Base interactions energy: -25.127
where: short stacking energy: -22.644
Base-Backbone interact. energy: -0.101
local terms energy: -49.933578
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -185.978947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.978947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.978947 (E_RNA)
where:
Base-Base interactions energy: -112.597
where: short stacking energy: -58.490
Base-Backbone interact. energy: -0.512
local terms energy: -72.870014
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -201.311758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.311758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.311758 (E_RNA)
where:
Base-Base interactions energy: -127.361
where: short stacking energy: -60.497
Base-Backbone interact. energy: -0.016
local terms energy: -73.934774
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -17.830
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: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -192.980662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.980662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.980662 (E_RNA)
where:
Base-Base interactions energy: -122.943
where: short stacking energy: -73.071
Base-Backbone interact. energy: -0.006
local terms energy: -70.031559
where:
bonds (distance) C4'-P energy: -9.066
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -188.841463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.841463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.841463 (E_RNA)
where:
Base-Base interactions energy: -126.917
where: short stacking energy: -51.836
Base-Backbone interact. energy: -0.754
local terms energy: -61.169658
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -166.892806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.892806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.892806 (E_RNA)
where:
Base-Base interactions energy: -103.939
where: short stacking energy: -39.268
Base-Backbone interact. energy: -0.833
local terms energy: -62.121286
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -119.279156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.279156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.279156 (E_RNA)
where:
Base-Base interactions energy: -63.141
where: short stacking energy: -39.406
Base-Backbone interact. energy: -0.150
local terms energy: -55.987975
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -6.074
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: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -93.247626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.247626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.247626 (E_RNA)
where:
Base-Base interactions energy: -30.743
where: short stacking energy: -28.423
Base-Backbone interact. energy: 1.248
local terms energy: -63.752037
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -89.411081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.411081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.411081 (E_RNA)
where:
Base-Base interactions energy: -39.101
where: short stacking energy: -34.563
Base-Backbone interact. energy: -1.695
local terms energy: -48.615575
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -73.947415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.947415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.947415 (E_RNA)
where:
Base-Base interactions energy: -24.755
where: short stacking energy: -22.275
Base-Backbone interact. energy: 0.512
local terms energy: -49.704067
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -8.648
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -78.475620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.475620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.475620 (E_RNA)
where:
Base-Base interactions energy: -29.595
where: short stacking energy: -28.557
Base-Backbone interact. energy: -0.918
local terms energy: -47.962492
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -191.574205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.574205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.574205 (E_RNA)
where:
Base-Base interactions energy: -126.778
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.216
local terms energy: -64.580529
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -200.189966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.189966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.189966 (E_RNA)
where:
Base-Base interactions energy: -134.634
where: short stacking energy: -64.027
Base-Backbone interact. energy: -0.006
local terms energy: -65.550566
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -3.223
tors. eta vs tors. theta energy: -18.306
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: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -180.479857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.479857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.479857 (E_RNA)
where:
Base-Base interactions energy: -106.969
where: short stacking energy: -45.811
Base-Backbone interact. energy: 0.010
local terms energy: -73.521044
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -166.613783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.613783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.613783 (E_RNA)
where:
Base-Base interactions energy: -107.690
where: short stacking energy: -44.824
Base-Backbone interact. energy: -0.376
local terms energy: -58.547385
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -10.437
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: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -167.468909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.468909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.468909 (E_RNA)
where:
Base-Base interactions energy: -107.533
where: short stacking energy: -48.449
Base-Backbone interact. energy: -1.557
local terms energy: -58.379230
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -11.160
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: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -134.694831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.694831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.694831 (E_RNA)
where:
Base-Base interactions energy: -67.767
where: short stacking energy: -39.296
Base-Backbone interact. energy: -0.058
local terms energy: -66.870002
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -10.925
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: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -102.849085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.849085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.849085 (E_RNA)
where:
Base-Base interactions energy: -40.284
where: short stacking energy: -40.284
Base-Backbone interact. energy: -0.167
local terms energy: -62.397928
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -9.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -89.300289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.300289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.300289 (E_RNA)
where:
Base-Base interactions energy: -35.533
where: short stacking energy: -35.533
Base-Backbone interact. energy: -0.211
local terms energy: -53.556028
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -87.991263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.991263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.991263 (E_RNA)
where:
Base-Base interactions energy: -36.036
where: short stacking energy: -35.336
Base-Backbone interact. energy: -0.219
local terms energy: -51.736122
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -93.442910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.442910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.442910 (E_RNA)
where:
Base-Base interactions energy: -42.328
where: short stacking energy: -22.232
Base-Backbone interact. energy: -0.107
local terms energy: -51.007913
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -5.291
flat angles P-C4'-P energy: -7.163
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: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -206.700378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.700378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.700378 (E_RNA)
where:
Base-Base interactions energy: -132.476
where: short stacking energy: -67.508
Base-Backbone interact. energy: -0.026
local terms energy: -74.198267
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -190.869311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.869311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.869311 (E_RNA)
where:
Base-Base interactions energy: -114.817
where: short stacking energy: -56.159
Base-Backbone interact. energy: -0.621
local terms energy: -75.431673
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -16.571
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: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -195.918444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.918444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.918444 (E_RNA)
where:
Base-Base interactions energy: -127.363
where: short stacking energy: -58.161
Base-Backbone interact. energy: 0.733
local terms energy: -69.288154
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -9.815
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: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -196.399950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.399950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.399950 (E_RNA)
where:
Base-Base interactions energy: -126.583
where: short stacking energy: -59.693
Base-Backbone interact. energy: -0.287
local terms energy: -69.530014
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -17.084
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: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -167.226957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.226957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.226957 (E_RNA)
where:
Base-Base interactions energy: -99.253
where: short stacking energy: -46.012
Base-Backbone interact. energy: -0.078
local terms energy: -67.895780
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -105.592680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.592680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.592680 (E_RNA)
where:
Base-Base interactions energy: -44.650
where: short stacking energy: -40.811
Base-Backbone interact. energy: 1.060
local terms energy: -62.003219
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -84.647463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.647463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.647463 (E_RNA)
where:
Base-Base interactions energy: -30.751
where: short stacking energy: -30.751
Base-Backbone interact. energy: -0.049
local terms energy: -53.847938
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -92.304151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.304151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.304151 (E_RNA)
where:
Base-Base interactions energy: -47.114
where: short stacking energy: -33.586
Base-Backbone interact. energy: 0.804
local terms energy: -45.994460
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -6.107
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -86.497125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.497125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.497125 (E_RNA)
where:
Base-Base interactions energy: -37.819
where: short stacking energy: -37.262
Base-Backbone interact. energy: -0.023
local terms energy: -48.655438
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -3.589
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -74.948976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.948976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.948976 (E_RNA)
where:
Base-Base interactions energy: -30.756
where: short stacking energy: -29.496
Base-Backbone interact. energy: -0.041
local terms energy: -44.152408
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -205.281299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.281299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.281299 (E_RNA)
where:
Base-Base interactions energy: -137.727
where: short stacking energy: -59.819
Base-Backbone interact. energy: 0.474
local terms energy: -68.028005
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -194.186839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.186839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.186839 (E_RNA)
where:
Base-Base interactions energy: -126.218
where: short stacking energy: -55.783
Base-Backbone interact. energy: 0.120
local terms energy: -68.089290
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -10.173
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: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -175.966191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.966191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.966191 (E_RNA)
where:
Base-Base interactions energy: -113.252
where: short stacking energy: -65.371
Base-Backbone interact. energy: -0.039
local terms energy: -62.674614
where:
bonds (distance) C4'-P energy: -7.707
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -174.368728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.368728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.368728 (E_RNA)
where:
Base-Base interactions energy: -105.020
where: short stacking energy: -50.952
Base-Backbone interact. energy: 0.377
local terms energy: -69.725969
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -12.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -174.446689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.446689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.446689 (E_RNA)
where:
Base-Base interactions energy: -107.832
where: short stacking energy: -47.493
Base-Backbone interact. energy: -0.117
local terms energy: -66.497875
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -10.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -122.592632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.592632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.592632 (E_RNA)
where:
Base-Base interactions energy: -69.169
where: short stacking energy: -43.871
Base-Backbone interact. energy: -0.166
local terms energy: -53.257055
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -87.139933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.139933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.139933 (E_RNA)
where:
Base-Base interactions energy: -30.533
where: short stacking energy: -25.711
Base-Backbone interact. energy: -0.438
local terms energy: -56.169321
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -87.757575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.757575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.757575 (E_RNA)
where:
Base-Base interactions energy: -36.090
where: short stacking energy: -27.784
Base-Backbone interact. energy: -0.180
local terms energy: -51.487492
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -81.286556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.286556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.286556 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -30.987
Base-Backbone interact. energy: 0.534
local terms energy: -46.644845
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -76.399778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.399778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.399778 (E_RNA)
where:
Base-Base interactions energy: -21.983
where: short stacking energy: -19.375
Base-Backbone interact. energy: -0.878
local terms energy: -53.539627
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -199.713673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.713673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.713673 (E_RNA)
where:
Base-Base interactions energy: -126.816
where: short stacking energy: -68.213
Base-Backbone interact. energy: -1.105
local terms energy: -71.792563
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -196.869719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.869719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.869719 (E_RNA)
where:
Base-Base interactions energy: -132.232
where: short stacking energy: -49.224
Base-Backbone interact. energy: -0.181
local terms energy: -64.457441
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -160.187878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.187878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.187878 (E_RNA)
where:
Base-Base interactions energy: -91.901
where: short stacking energy: -46.562
Base-Backbone interact. energy: -0.603
local terms energy: -67.684233
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -10.766
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: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -165.613616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.613616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.613616 (E_RNA)
where:
Base-Base interactions energy: -102.745
where: short stacking energy: -55.172
Base-Backbone interact. energy: -0.050
local terms energy: -62.818775
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -10.928
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: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -156.427718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.427718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.427718 (E_RNA)
where:
Base-Base interactions energy: -101.329
where: short stacking energy: -49.142
Base-Backbone interact. energy: -0.256
local terms energy: -54.843087
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -8.933
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -116.433708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.433708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.433708 (E_RNA)
where:
Base-Base interactions energy: -59.931
where: short stacking energy: -38.113
Base-Backbone interact. energy: -0.307
local terms energy: -56.195646
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -5.207
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: 7, replica: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -88.554041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.554041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.554041 (E_RNA)
where:
Base-Base interactions energy: -29.205
where: short stacking energy: -29.205
Base-Backbone interact. energy: -0.007
local terms energy: -59.342284
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -100.458646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.458646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.458646 (E_RNA)
where:
Base-Base interactions energy: -45.309
where: short stacking energy: -45.723
Base-Backbone interact. energy: -0.064
local terms energy: -55.085241
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -78.945257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.945257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.945257 (E_RNA)
where:
Base-Base interactions energy: -33.887
where: short stacking energy: -31.069
Base-Backbone interact. energy: -0.016
local terms energy: -45.041977
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -72.634771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.634771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.634771 (E_RNA)
where:
Base-Base interactions energy: -23.086
where: short stacking energy: -19.866
Base-Backbone interact. energy: -0.026
local terms energy: -49.523672
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -211.884565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.884565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.884565 (E_RNA)
where:
Base-Base interactions energy: -141.348
where: short stacking energy: -63.455
Base-Backbone interact. energy: -0.375
local terms energy: -70.162269
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -193.600385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.600385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.600385 (E_RNA)
where:
Base-Base interactions energy: -121.957
where: short stacking energy: -59.246
Base-Backbone interact. energy: -0.115
local terms energy: -71.529034
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -159.570616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.570616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.570616 (E_RNA)
where:
Base-Base interactions energy: -105.804
where: short stacking energy: -46.020
Base-Backbone interact. energy: -0.147
local terms energy: -53.620477
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -8.866
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -11.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -179.710528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.710528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.710528 (E_RNA)
where:
Base-Base interactions energy: -111.333
where: short stacking energy: -56.192
Base-Backbone interact. energy: -0.087
local terms energy: -68.291141
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -11.162
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: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -158.609973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.609973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.609973 (E_RNA)
where:
Base-Base interactions energy: -99.056
where: short stacking energy: -55.105
Base-Backbone interact. energy: -0.156
local terms energy: -59.398027
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -132.804453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.804453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.804453 (E_RNA)
where:
Base-Base interactions energy: -69.396
where: short stacking energy: -42.291
Base-Backbone interact. energy: -0.396
local terms energy: -63.012858
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.710
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: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -87.638577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.638577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.638577 (E_RNA)
where:
Base-Base interactions energy: -31.509
where: short stacking energy: -30.232
Base-Backbone interact. energy: -0.201
local terms energy: -55.927929
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -86.151182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.151182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.151182 (E_RNA)
where:
Base-Base interactions energy: -32.962
where: short stacking energy: -21.742
Base-Backbone interact. energy: -0.209
local terms energy: -52.980673
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -81.064243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.064243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.064243 (E_RNA)
where:
Base-Base interactions energy: -30.656
where: short stacking energy: -26.731
Base-Backbone interact. energy: -0.012
local terms energy: -50.396484
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -84.571448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.571448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.571448 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -33.254
Base-Backbone interact. energy: -0.366
local terms energy: -50.869096
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -6.408
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: 276
Temperature: 0.900000
Total energy: -217.763878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.763878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.763878 (E_RNA)
where:
Base-Base interactions energy: -147.011
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.213
local terms energy: -70.539701
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -14.133
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: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -197.475982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.475982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.475982 (E_RNA)
where:
Base-Base interactions energy: -130.440
where: short stacking energy: -57.876
Base-Backbone interact. energy: -0.034
local terms energy: -67.002321
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -10.574
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: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -191.414415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.414415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.414415 (E_RNA)
where:
Base-Base interactions energy: -129.924
where: short stacking energy: -56.097
Base-Backbone interact. energy: -0.360
local terms energy: -61.130866
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -10.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -163.065496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.065496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.065496 (E_RNA)
where:
Base-Base interactions energy: -97.871
where: short stacking energy: -46.414
Base-Backbone interact. energy: -0.446
local terms energy: -64.748027
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -177.436706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.436706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.436706 (E_RNA)
where:
Base-Base interactions energy: -107.437
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.098
local terms energy: -69.901194
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -18.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -126.465110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.465110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.465110 (E_RNA)
where:
Base-Base interactions energy: -65.478
where: short stacking energy: -51.746
Base-Backbone interact. energy: -0.049
local terms energy: -60.938097
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -10.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -96.871756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.871756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.871756 (E_RNA)
where:
Base-Base interactions energy: -47.085
where: short stacking energy: -34.575
Base-Backbone interact. energy: -0.674
local terms energy: -49.112920
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -103.018600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.018600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.018600 (E_RNA)
where:
Base-Base interactions energy: -43.722
where: short stacking energy: -41.523
Base-Backbone interact. energy: -0.028
local terms energy: -59.268870
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -8.195
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: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -92.570745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.570745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.570745 (E_RNA)
where:
Base-Base interactions energy: -44.750
where: short stacking energy: -37.169
Base-Backbone interact. energy: -0.010
local terms energy: -47.811018
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -9.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -76.474146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.474146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.474146 (E_RNA)
where:
Base-Base interactions energy: -38.696
where: short stacking energy: -22.286
Base-Backbone interact. energy: -0.393
local terms energy: -37.385541
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -216.857155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.857155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.857155 (E_RNA)
where:
Base-Base interactions energy: -146.734
where: short stacking energy: -70.760
Base-Backbone interact. energy: -0.173
local terms energy: -69.950084
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -9.763
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: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -203.547629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.547629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.547629 (E_RNA)
where:
Base-Base interactions energy: -134.808
where: short stacking energy: -69.330
Base-Backbone interact. energy: 0.508
local terms energy: -69.246978
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -13.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -186.305477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.305477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.305477 (E_RNA)
where:
Base-Base interactions energy: -115.413
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.305
local terms energy: -70.587626
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -179.643845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.643845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.643845 (E_RNA)
where:
Base-Base interactions energy: -106.305
where: short stacking energy: -63.517
Base-Backbone interact. energy: -0.011
local terms energy: -73.327940
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -12.907
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: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -166.112025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.112025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.112025 (E_RNA)
where:
Base-Base interactions energy: -112.335
where: short stacking energy: -48.334
Base-Backbone interact. energy: -0.153
local terms energy: -53.624147
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -91.998362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.998362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.998362 (E_RNA)
where:
Base-Base interactions energy: -34.842
where: short stacking energy: -32.287
Base-Backbone interact. energy: -0.133
local terms energy: -57.023543
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -4.241
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: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -90.505843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.505843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.505843 (E_RNA)
where:
Base-Base interactions energy: -38.032
where: short stacking energy: -38.032
Base-Backbone interact. energy: -0.285
local terms energy: -52.189110
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -88.645140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.645140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.645140 (E_RNA)
where:
Base-Base interactions energy: -41.173
where: short stacking energy: -40.794
Base-Backbone interact. energy: 0.056
local terms energy: -47.528347
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -73.490732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.490732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.490732 (E_RNA)
where:
Base-Base interactions energy: -33.130
where: short stacking energy: -26.042
Base-Backbone interact. energy: -0.168
local terms energy: -40.192938
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: 4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -83.732138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.732138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.732138 (E_RNA)
where:
Base-Base interactions energy: -44.833
where: short stacking energy: -30.476
Base-Backbone interact. energy: -0.109
local terms energy: -38.790352
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: 2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -202.822787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.822787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.822787 (E_RNA)
where:
Base-Base interactions energy: -129.420
where: short stacking energy: -65.428
Base-Backbone interact. energy: -0.369
local terms energy: -73.033874
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -22.897
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: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -213.358011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.358011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.358011 (E_RNA)
where:
Base-Base interactions energy: -143.565
where: short stacking energy: -67.786
Base-Backbone interact. energy: -0.301
local terms energy: -69.492329
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -6.559
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: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -191.513244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.513244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.513244 (E_RNA)
where:
Base-Base interactions energy: -129.479
where: short stacking energy: -69.743
Base-Backbone interact. energy: 0.788
local terms energy: -62.822016
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -6.699
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -19.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -184.127646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.127646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.127646 (E_RNA)
where:
Base-Base interactions energy: -116.509
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.093
local terms energy: -67.525624
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -13.973
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: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -161.620358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.620358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.620358 (E_RNA)
where:
Base-Base interactions energy: -92.383
where: short stacking energy: -54.722
Base-Backbone interact. energy: -0.173
local terms energy: -69.064290
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -94.778208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.778208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.778208 (E_RNA)
where:
Base-Base interactions energy: -36.849
where: short stacking energy: -36.849
Base-Backbone interact. energy: -1.255
local terms energy: -56.674986
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -96.065293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.065293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.065293 (E_RNA)
where:
Base-Base interactions energy: -45.455
where: short stacking energy: -19.190
Base-Backbone interact. energy: -0.226
local terms energy: -50.384400
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: 1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -108.706628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.706628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.706628 (E_RNA)
where:
Base-Base interactions energy: -52.352
where: short stacking energy: -30.456
Base-Backbone interact. energy: -0.610
local terms energy: -55.744775
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -6.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -93.044890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.044890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.044890 (E_RNA)
where:
Base-Base interactions energy: -51.785
where: short stacking energy: -38.784
Base-Backbone interact. energy: -0.024
local terms energy: -41.236295
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -73.930310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.930310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.930310 (E_RNA)
where:
Base-Base interactions energy: -22.748
where: short stacking energy: -16.104
Base-Backbone interact. energy: -0.149
local terms energy: -51.033357
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -210.119125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.119125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.119125 (E_RNA)
where:
Base-Base interactions energy: -134.949
where: short stacking energy: -68.004
Base-Backbone interact. energy: -0.010
local terms energy: -75.160331
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -202.913793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.913793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.913793 (E_RNA)
where:
Base-Base interactions energy: -130.738
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.159
local terms energy: -72.016736
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -13.489
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: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -171.714531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.714531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.714531 (E_RNA)
where:
Base-Base interactions energy: -102.665
where: short stacking energy: -56.985
Base-Backbone interact. energy: -0.076
local terms energy: -68.973163
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -17.122
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: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -182.019090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.019090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.019090 (E_RNA)
where:
Base-Base interactions energy: -109.630
where: short stacking energy: -61.455
Base-Backbone interact. energy: -0.002
local terms energy: -72.386944
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -12.519
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: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -177.632065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.632065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.632065 (E_RNA)
where:
Base-Base interactions energy: -110.535
where: short stacking energy: -50.751
Base-Backbone interact. energy: -0.018
local terms energy: -67.078728
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -7.362
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: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -100.705345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.705345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.705345 (E_RNA)
where:
Base-Base interactions energy: -56.492
where: short stacking energy: -33.470
Base-Backbone interact. energy: -0.702
local terms energy: -43.511897
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -5.610
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -4.884
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: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -100.860149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.860149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.860149 (E_RNA)
where:
Base-Base interactions energy: -55.332
where: short stacking energy: -33.671
Base-Backbone interact. energy: -0.053
local terms energy: -45.475189
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -112.070027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.070027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.070027 (E_RNA)
where:
Base-Base interactions energy: -66.825
where: short stacking energy: -39.414
Base-Backbone interact. energy: -0.274
local terms energy: -44.970892
where:
bonds (distance) C4'-P energy: -7.549
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -78.076312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076312 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -30.912
Base-Backbone interact. energy: -0.201
local terms energy: -45.599023
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -6.836
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -87.221688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.221688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.221688 (E_RNA)
where:
Base-Base interactions energy: -33.374
where: short stacking energy: -32.187
Base-Backbone interact. energy: -0.969
local terms energy: -52.878438
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -213.484469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.484469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.484469 (E_RNA)
where:
Base-Base interactions energy: -136.364
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.826
local terms energy: -76.295037
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -10.703
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: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -210.101545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.101545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.101545 (E_RNA)
where:
Base-Base interactions energy: -134.539
where: short stacking energy: -68.549
Base-Backbone interact. energy: -0.273
local terms energy: -75.289608
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -182.977484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.977484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.977484 (E_RNA)
where:
Base-Base interactions energy: -120.354
where: short stacking energy: -48.340
Base-Backbone interact. energy: -0.177
local terms energy: -62.446206
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -6.926
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: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -154.612565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.612565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.612565 (E_RNA)
where:
Base-Base interactions energy: -90.700
where: short stacking energy: -56.721
Base-Backbone interact. energy: -0.030
local terms energy: -63.883117
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -181.010787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.010787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.010787 (E_RNA)
where:
Base-Base interactions energy: -123.529
where: short stacking energy: -55.357
Base-Backbone interact. energy: -0.006
local terms energy: -57.476426
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -11.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -103.050804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.050804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.050804 (E_RNA)
where:
Base-Base interactions energy: -39.627
where: short stacking energy: -37.069
Base-Backbone interact. energy: -0.037
local terms energy: -63.386780
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -12.544
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: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -99.740336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.740336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.740336 (E_RNA)
where:
Base-Base interactions energy: -43.216
where: short stacking energy: -33.316
Base-Backbone interact. energy: -0.198
local terms energy: -56.325384
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -90.386234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386234 (E_RNA)
where:
Base-Base interactions energy: -45.378
where: short stacking energy: -18.212
Base-Backbone interact. energy: 0.108
local terms energy: -45.115839
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -75.067282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.067282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.067282 (E_RNA)
where:
Base-Base interactions energy: -30.924
where: short stacking energy: -25.627
Base-Backbone interact. energy: 0.624
local terms energy: -44.766618
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -84.388295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.388295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.388295 (E_RNA)
where:
Base-Base interactions energy: -36.727
where: short stacking energy: -30.120
Base-Backbone interact. energy: -0.159
local terms energy: -47.502520
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -212.585136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.585136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.585136 (E_RNA)
where:
Base-Base interactions energy: -139.992
where: short stacking energy: -60.760
Base-Backbone interact. energy: -0.041
local terms energy: -72.552835
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -8.789
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: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -194.873033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.873033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.873033 (E_RNA)
where:
Base-Base interactions energy: -121.779
where: short stacking energy: -63.733
Base-Backbone interact. energy: -0.067
local terms energy: -73.027782
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -14.970
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: 281
Temperature: 1.000000
Total energy: -212.771818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.771818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.771818 (E_RNA)
where:
Base-Base interactions energy: -138.932
where: short stacking energy: -75.643
Base-Backbone interact. energy: -0.234
local terms energy: -73.606185
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.948
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: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -179.768071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.768071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.768071 (E_RNA)
where:
Base-Base interactions energy: -121.239
where: short stacking energy: -53.359
Base-Backbone interact. energy: -1.229
local terms energy: -57.299565
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -164.891004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.891004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.891004 (E_RNA)
where:
Base-Base interactions energy: -98.675
where: short stacking energy: -46.474
Base-Backbone interact. energy: -0.275
local terms energy: -65.940989
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -10.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -109.351150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.351150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.351150 (E_RNA)
where:
Base-Base interactions energy: -43.052
where: short stacking energy: -38.863
Base-Backbone interact. energy: -0.022
local terms energy: -66.277915
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -85.117443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.117443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.117443 (E_RNA)
where:
Base-Base interactions energy: -35.282
where: short stacking energy: -35.282
Base-Backbone interact. energy: -0.154
local terms energy: -49.681250
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -3.848
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -84.178399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.178399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.178399 (E_RNA)
where:
Base-Base interactions energy: -33.994
where: short stacking energy: -29.978
Base-Backbone interact. energy: -0.160
local terms energy: -50.024431
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -120.677103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.677103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.677103 (E_RNA)
where:
Base-Base interactions energy: -66.471
where: short stacking energy: -29.643
Base-Backbone interact. energy: -0.407
local terms energy: -53.798954
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -89.792684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.792684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.792684 (E_RNA)
where:
Base-Base interactions energy: -35.428
where: short stacking energy: -32.041
Base-Backbone interact. energy: -0.175
local terms energy: -54.189533
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -213.611614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.611614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.611614 (E_RNA)
where:
Base-Base interactions energy: -145.674
where: short stacking energy: -65.638
Base-Backbone interact. energy: -0.356
local terms energy: -67.581627
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -197.495681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.495681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.495681 (E_RNA)
where:
Base-Base interactions energy: -123.575
where: short stacking energy: -63.990
Base-Backbone interact. energy: -0.645
local terms energy: -73.275161
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -193.859834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.859834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.859834 (E_RNA)
where:
Base-Base interactions energy: -111.890
where: short stacking energy: -63.817
Base-Backbone interact. energy: -0.021
local terms energy: -81.948116
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -14.193
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: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -193.100483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.100483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.100483 (E_RNA)
where:
Base-Base interactions energy: -125.149
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.169
local terms energy: -67.782434
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -9.794
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: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -157.679446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.679446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.679446 (E_RNA)
where:
Base-Base interactions energy: -92.802
where: short stacking energy: -45.413
Base-Backbone interact. energy: -0.162
local terms energy: -64.714888
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -99.122561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.122561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.122561 (E_RNA)
where:
Base-Base interactions energy: -53.267
where: short stacking energy: -40.194
Base-Backbone interact. energy: -0.053
local terms energy: -45.802932
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -4.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -89.449324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.449324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.449324 (E_RNA)
where:
Base-Base interactions energy: -35.510
where: short stacking energy: -31.270
Base-Backbone interact. energy: 0.156
local terms energy: -54.095203
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -89.540122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.540122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.540122 (E_RNA)
where:
Base-Base interactions energy: -33.592
where: short stacking energy: -30.219
Base-Backbone interact. energy: 0.640
local terms energy: -56.587841
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -82.461704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.461704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.461704 (E_RNA)
where:
Base-Base interactions energy: -32.374
where: short stacking energy: -31.189
Base-Backbone interact. energy: -0.620
local terms energy: -49.467270
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: 1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -91.527029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.527029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.527029 (E_RNA)
where:
Base-Base interactions energy: -40.389
where: short stacking energy: -27.536
Base-Backbone interact. energy: -0.185
local terms energy: -50.953592
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -7.340
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: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -217.584975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.584975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.584975 (E_RNA)
where:
Base-Base interactions energy: -141.005
where: short stacking energy: -70.431
Base-Backbone interact. energy: -0.830
local terms energy: -75.749899
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -203.083708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.083708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.083708 (E_RNA)
where:
Base-Base interactions energy: -131.843
where: short stacking energy: -63.024
Base-Backbone interact. energy: -0.011
local terms energy: -71.228996
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -168.959479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.959479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.959479 (E_RNA)
where:
Base-Base interactions energy: -107.886
where: short stacking energy: -60.572
Base-Backbone interact. energy: -0.072
local terms energy: -61.001511
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -13.869
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: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -168.673598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.673598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.673598 (E_RNA)
where:
Base-Base interactions energy: -111.983
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.107
local terms energy: -56.583455
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -8.400
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: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -189.104814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.104814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.104814 (E_RNA)
where:
Base-Base interactions energy: -126.262
where: short stacking energy: -56.972
Base-Backbone interact. energy: -0.057
local terms energy: -62.786008
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -95.953493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.953493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.953493 (E_RNA)
where:
Base-Base interactions energy: -38.042
where: short stacking energy: -31.809
Base-Backbone interact. energy: -0.149
local terms energy: -57.761951
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -7.773
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: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -95.957685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.957685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.957685 (E_RNA)
where:
Base-Base interactions energy: -38.369
where: short stacking energy: -38.369
Base-Backbone interact. energy: -0.102
local terms energy: -57.486755
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -85.740306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.740306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.740306 (E_RNA)
where:
Base-Base interactions energy: -37.041
where: short stacking energy: -29.584
Base-Backbone interact. energy: -0.282
local terms energy: -48.416783
where:
bonds (distance) C4'-P energy: -3.355
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -9.231
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: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -94.467505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.467505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.467505 (E_RNA)
where:
Base-Base interactions energy: -46.499
where: short stacking energy: -37.214
Base-Backbone interact. energy: -0.530
local terms energy: -47.437734
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -6.173
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -94.270700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.270700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.270700 (E_RNA)
where:
Base-Base interactions energy: -57.500
where: short stacking energy: -34.093
Base-Backbone interact. energy: -0.234
local terms energy: -36.537661
where:
bonds (distance) C4'-P energy: -5.902
bonds (distance) P-C4' energy: -8.601
flat angles C4'-P-C4' energy: -7.934
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -2.883
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: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -208.578873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.578873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.578873 (E_RNA)
where:
Base-Base interactions energy: -138.184
where: short stacking energy: -58.066
Base-Backbone interact. energy: 0.166
local terms energy: -70.561362
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -12.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -197.574553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.574553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.574553 (E_RNA)
where:
Base-Base interactions energy: -131.864
where: short stacking energy: -58.802
Base-Backbone interact. energy: -0.051
local terms energy: -65.659244
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.909
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: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -166.572221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.572221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.572221 (E_RNA)
where:
Base-Base interactions energy: -101.505
where: short stacking energy: -52.151
Base-Backbone interact. energy: -0.093
local terms energy: -64.974879
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -185.312464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.312464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.312464 (E_RNA)
where:
Base-Base interactions energy: -128.794
where: short stacking energy: -62.051
Base-Backbone interact. energy: -0.020
local terms energy: -56.498680
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -9.487
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -10.585
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: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -189.139495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.139495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.139495 (E_RNA)
where:
Base-Base interactions energy: -124.821
where: short stacking energy: -54.830
Base-Backbone interact. energy: 1.703
local terms energy: -66.020791
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -11.607
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: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -105.072395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.072395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.072395 (E_RNA)
where:
Base-Base interactions energy: -54.944
where: short stacking energy: -35.616
Base-Backbone interact. energy: -0.158
local terms energy: -49.970357
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -7.573
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: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -91.168463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.168463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.168463 (E_RNA)
where:
Base-Base interactions energy: -30.685
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.153
local terms energy: -60.331361
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -6.555
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: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -81.586609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.586609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.586609 (E_RNA)
where:
Base-Base interactions energy: -25.411
where: short stacking energy: -22.042
Base-Backbone interact. energy: -0.031
local terms energy: -56.144933
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -0.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -92.288889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.288889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.288889 (E_RNA)
where:
Base-Base interactions energy: -32.541
where: short stacking energy: -32.541
Base-Backbone interact. energy: -0.094
local terms energy: -59.653950
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -84.006860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.006860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.006860 (E_RNA)
where:
Base-Base interactions energy: -35.303
where: short stacking energy: -26.133
Base-Backbone interact. energy: -0.020
local terms energy: -48.683211
where:
bonds (distance) C4'-P energy: -8.300
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -202.293918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.293918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.293918 (E_RNA)
where:
Base-Base interactions energy: -127.740
where: short stacking energy: -66.867
Base-Backbone interact. energy: -0.742
local terms energy: -73.811756
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -13.075
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: 2, replica: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -179.776261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.776261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.776261 (E_RNA)
where:
Base-Base interactions energy: -116.881
where: short stacking energy: -63.406
Base-Backbone interact. energy: -1.427
local terms energy: -61.468663
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -189.415022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.415022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.415022 (E_RNA)
where:
Base-Base interactions energy: -127.333
where: short stacking energy: -50.557
Base-Backbone interact. energy: -0.324
local terms energy: -61.757819
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -11.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -182.233534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.233534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.233534 (E_RNA)
where:
Base-Base interactions energy: -115.764
where: short stacking energy: -54.982
Base-Backbone interact. energy: -0.019
local terms energy: -66.451063
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -166.630088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.630088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.630088 (E_RNA)
where:
Base-Base interactions energy: -101.262
where: short stacking energy: -44.183
Base-Backbone interact. energy: -1.418
local terms energy: -63.950012
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -8.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -90.082961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.082961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.082961 (E_RNA)
where:
Base-Base interactions energy: -37.095
where: short stacking energy: -34.019
Base-Backbone interact. energy: -0.060
local terms energy: -52.928380
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -7.961
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -4.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -101.395691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.395691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.395691 (E_RNA)
where:
Base-Base interactions energy: -44.344
where: short stacking energy: -40.318
Base-Backbone interact. energy: -0.892
local terms energy: -56.159640
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -10.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -91.435838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.435838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.435838 (E_RNA)
where:
Base-Base interactions energy: -31.127
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.130
local terms energy: -60.179152
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -10.852
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: 9, replica: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -76.533413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.533413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.533413 (E_RNA)
where:
Base-Base interactions energy: -28.417
where: short stacking energy: -23.493
Base-Backbone interact. energy: -0.220
local terms energy: -47.896233
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: 1.044
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: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -84.222035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.222035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.222035 (E_RNA)
where:
Base-Base interactions energy: -35.827
where: short stacking energy: -31.238
Base-Backbone interact. energy: -0.180
local terms energy: -48.214918
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -206.171499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.171499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.171499 (E_RNA)
where:
Base-Base interactions energy: -138.521
where: short stacking energy: -59.213
Base-Backbone interact. energy: -0.046
local terms energy: -67.604751
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -16.860
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: 286
Temperature: 0.950000
Total energy: -187.541658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.541658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.541658 (E_RNA)
where:
Base-Base interactions energy: -116.250
where: short stacking energy: -57.218
Base-Backbone interact. energy: -0.244
local terms energy: -71.048291
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -11.754
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: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -170.806970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.806970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.806970 (E_RNA)
where:
Base-Base interactions energy: -99.885
where: short stacking energy: -48.916
Base-Backbone interact. energy: -0.021
local terms energy: -70.900970
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -13.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -168.569875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.569875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.569875 (E_RNA)
where:
Base-Base interactions energy: -106.948
where: short stacking energy: -58.208
Base-Backbone interact. energy: -0.107
local terms energy: -61.514364
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -13.997
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: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -141.361869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.361869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.361869 (E_RNA)
where:
Base-Base interactions energy: -83.023
where: short stacking energy: -45.205
Base-Backbone interact. energy: -0.233
local terms energy: -58.105810
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -9.095
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -13.019
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: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -107.687086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.687086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.687086 (E_RNA)
where:
Base-Base interactions energy: -45.668
where: short stacking energy: -44.995
Base-Backbone interact. energy: -0.104
local terms energy: -61.914276
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -6.731
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: 7, replica: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -89.302608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.302608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.302608 (E_RNA)
where:
Base-Base interactions energy: -38.099
where: short stacking energy: -38.099
Base-Backbone interact. energy: -0.757
local terms energy: -50.446882
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -5.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -94.922375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.922375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.922375 (E_RNA)
where:
Base-Base interactions energy: -39.243
where: short stacking energy: -38.769
Base-Backbone interact. energy: -0.017
local terms energy: -55.662356
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -6.800
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: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -81.553401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.553401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.553401 (E_RNA)
where:
Base-Base interactions energy: -39.279
where: short stacking energy: -28.913
Base-Backbone interact. energy: 0.206
local terms energy: -42.480949
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -0.218
tors. eta vs tors. theta energy: 0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -71.142920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.142920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.142920 (E_RNA)
where:
Base-Base interactions energy: -27.993
where: short stacking energy: -27.239
Base-Backbone interact. energy: 0.831
local terms energy: -43.981091
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -5.865
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -188.419221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.419221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.419221 (E_RNA)
where:
Base-Base interactions energy: -114.144
where: short stacking energy: -59.716
Base-Backbone interact. energy: -0.064
local terms energy: -74.211408
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -11.462
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: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -189.994639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.994639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.994639 (E_RNA)
where:
Base-Base interactions energy: -123.201
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.101
local terms energy: -66.692659
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -9.104
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: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -179.839859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.839859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.839859 (E_RNA)
where:
Base-Base interactions energy: -106.361
where: short stacking energy: -69.003
Base-Backbone interact. energy: -0.014
local terms energy: -73.465092
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -9.668
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: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -152.623162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.623162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.623162 (E_RNA)
where:
Base-Base interactions energy: -88.447
where: short stacking energy: -46.185
Base-Backbone interact. energy: 0.254
local terms energy: -64.430749
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -9.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -159.141906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.141906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.141906 (E_RNA)
where:
Base-Base interactions energy: -99.202
where: short stacking energy: -54.475
Base-Backbone interact. energy: 0.447
local terms energy: -60.387256
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -90.684538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.684538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.684538 (E_RNA)
where:
Base-Base interactions energy: -30.304
where: short stacking energy: -30.304
Base-Backbone interact. energy: -0.035
local terms energy: -60.344948
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -78.518598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.518598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.518598 (E_RNA)
where:
Base-Base interactions energy: -26.715
where: short stacking energy: -26.715
Base-Backbone interact. energy: -0.019
local terms energy: -51.784173
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -5.643
tors. eta vs tors. theta energy: -4.358
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: 287
Temperature: 1.250000
Total energy: -88.094640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.094640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.094640 (E_RNA)
where:
Base-Base interactions energy: -27.772
where: short stacking energy: -26.291
Base-Backbone interact. energy: -0.041
local terms energy: -60.281519
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -81.583688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.583688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.583688 (E_RNA)
where:
Base-Base interactions energy: -33.547
where: short stacking energy: -28.327
Base-Backbone interact. energy: -0.153
local terms energy: -47.884631
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -72.520029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.520029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.520029 (E_RNA)
where:
Base-Base interactions energy: -27.725
where: short stacking energy: -25.334
Base-Backbone interact. energy: -0.129
local terms energy: -44.665093
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: 2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -207.845108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.845108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.845108 (E_RNA)
where:
Base-Base interactions energy: -140.596
where: short stacking energy: -56.593
Base-Backbone interact. energy: 1.877
local terms energy: -69.126207
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -197.938904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.938904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.938904 (E_RNA)
where:
Base-Base interactions energy: -135.494
where: short stacking energy: -63.514
Base-Backbone interact. energy: -0.082
local terms energy: -62.363371
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -11.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -166.479144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.479144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.479144 (E_RNA)
where:
Base-Base interactions energy: -100.983
where: short stacking energy: -51.753
Base-Backbone interact. energy: 3.300
local terms energy: -68.796603
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -169.658932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.658932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.658932 (E_RNA)
where:
Base-Base interactions energy: -99.129
where: short stacking energy: -53.045
Base-Backbone interact. energy: -0.007
local terms energy: -70.522553
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -12.450
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: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -161.582804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.582804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.582804 (E_RNA)
where:
Base-Base interactions energy: -97.579
where: short stacking energy: -50.574
Base-Backbone interact. energy: 0.173
local terms energy: -64.176667
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -90.782820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.782820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.782820 (E_RNA)
where:
Base-Base interactions energy: -28.530
where: short stacking energy: -28.530
Base-Backbone interact. energy: -0.086
local terms energy: -62.166465
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -10.705
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: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -94.456276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.456276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.456276 (E_RNA)
where:
Base-Base interactions energy: -43.854
where: short stacking energy: -37.051
Base-Backbone interact. energy: 3.475
local terms energy: -54.077585
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -5.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -88.502811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.502811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.502811 (E_RNA)
where:
Base-Base interactions energy: -38.867
where: short stacking energy: -26.367
Base-Backbone interact. energy: -0.072
local terms energy: -49.563188
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -86.371147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.371147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.371147 (E_RNA)
where:
Base-Base interactions energy: -34.984
where: short stacking energy: -33.784
Base-Backbone interact. energy: 0.139
local terms energy: -51.526548
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -1.014
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -72.797003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.797003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.797003 (E_RNA)
where:
Base-Base interactions energy: -21.819
where: short stacking energy: -21.819
Base-Backbone interact. energy: -0.138
local terms energy: -50.839038
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -199.185940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.185940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.185940 (E_RNA)
where:
Base-Base interactions energy: -128.986
where: short stacking energy: -51.768
Base-Backbone interact. energy: -1.287
local terms energy: -68.912140
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -11.622
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: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -208.178995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.178995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.178995 (E_RNA)
where:
Base-Base interactions energy: -142.455
where: short stacking energy: -51.314
Base-Backbone interact. energy: -0.210
local terms energy: -65.514560
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -15.001
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: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -168.951056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.951056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.951056 (E_RNA)
where:
Base-Base interactions energy: -100.546
where: short stacking energy: -63.983
Base-Backbone interact. energy: -0.039
local terms energy: -68.366576
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -185.250693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.250693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.250693 (E_RNA)
where:
Base-Base interactions energy: -111.529
where: short stacking energy: -61.702
Base-Backbone interact. energy: -0.214
local terms energy: -73.507950
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -158.343799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.343799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.343799 (E_RNA)
where:
Base-Base interactions energy: -94.958
where: short stacking energy: -49.150
Base-Backbone interact. energy: -0.158
local terms energy: -63.227156
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -10.148
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: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -91.900219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.900219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.900219 (E_RNA)
where:
Base-Base interactions energy: -34.540
where: short stacking energy: -25.926
Base-Backbone interact. energy: -0.036
local terms energy: -57.324456
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -95.365414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.365414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.365414 (E_RNA)
where:
Base-Base interactions energy: -46.643
where: short stacking energy: -31.930
Base-Backbone interact. energy: -0.056
local terms energy: -48.666432
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -102.837214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.837214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.837214 (E_RNA)
where:
Base-Base interactions energy: -54.918
where: short stacking energy: -49.037
Base-Backbone interact. energy: -0.014
local terms energy: -47.904936
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -79.621796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.621796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.621796 (E_RNA)
where:
Base-Base interactions energy: -27.174
where: short stacking energy: -26.364
Base-Backbone interact. energy: -0.882
local terms energy: -51.565255
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -83.451469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.451469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.451469 (E_RNA)
where:
Base-Base interactions energy: -34.910
where: short stacking energy: -35.726
Base-Backbone interact. energy: -0.738
local terms energy: -47.803962
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -4.317
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: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -212.876708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.876708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.876708 (E_RNA)
where:
Base-Base interactions energy: -142.444
where: short stacking energy: -67.531
Base-Backbone interact. energy: -0.505
local terms energy: -69.927800
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -12.280
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: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -198.703450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.703450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.703450 (E_RNA)
where:
Base-Base interactions energy: -142.447
where: short stacking energy: -55.790
Base-Backbone interact. energy: -0.768
local terms energy: -55.488548
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -177.833531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.833531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.833531 (E_RNA)
where:
Base-Base interactions energy: -114.168
where: short stacking energy: -70.729
Base-Backbone interact. energy: -0.171
local terms energy: -63.495351
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -8.471
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -16.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -169.679640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.679640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.679640 (E_RNA)
where:
Base-Base interactions energy: -102.532
where: short stacking energy: -63.572
Base-Backbone interact. energy: -0.036
local terms energy: -67.111531
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -167.376205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.376205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.376205 (E_RNA)
where:
Base-Base interactions energy: -109.189
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.298
local terms energy: -57.889166
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -1.356
tors. eta vs tors. theta energy: -16.970
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: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -92.609160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.609160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.609160 (E_RNA)
where:
Base-Base interactions energy: -38.721
where: short stacking energy: -33.372
Base-Backbone interact. energy: -1.210
local terms energy: -52.678921
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -99.892533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.892533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.892533 (E_RNA)
where:
Base-Base interactions energy: -44.693
where: short stacking energy: -35.079
Base-Backbone interact. energy: -0.881
local terms energy: -54.317984
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -83.901287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.901287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.901287 (E_RNA)
where:
Base-Base interactions energy: -46.787
where: short stacking energy: -20.309
Base-Backbone interact. energy: 0.688
local terms energy: -37.802953
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -8.346
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: 3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -91.505726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.505726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.505726 (E_RNA)
where:
Base-Base interactions energy: -39.562
where: short stacking energy: -30.222
Base-Backbone interact. energy: -0.918
local terms energy: -51.025600
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -86.949185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.949185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.949185 (E_RNA)
where:
Base-Base interactions energy: -34.573
where: short stacking energy: -32.348
Base-Backbone interact. energy: -0.028
local terms energy: -52.347339
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -209.018599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.018599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.018599 (E_RNA)
where:
Base-Base interactions energy: -132.377
where: short stacking energy: -52.597
Base-Backbone interact. energy: -0.193
local terms energy: -76.448588
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -198.253575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.253575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.253575 (E_RNA)
where:
Base-Base interactions energy: -139.562
where: short stacking energy: -55.588
Base-Backbone interact. energy: 0.339
local terms energy: -59.030401
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -11.573
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: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -184.683456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.683456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.683456 (E_RNA)
where:
Base-Base interactions energy: -114.123
where: short stacking energy: -69.491
Base-Backbone interact. energy: -0.011
local terms energy: -70.549106
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -170.497279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.497279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.497279 (E_RNA)
where:
Base-Base interactions energy: -98.578
where: short stacking energy: -64.617
Base-Backbone interact. energy: -0.005
local terms energy: -71.914487
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -11.310
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: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -177.290270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.290270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.290270 (E_RNA)
where:
Base-Base interactions energy: -114.654
where: short stacking energy: -53.135
Base-Backbone interact. energy: 0.872
local terms energy: -63.508349
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -10.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -91.027523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.027523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.027523 (E_RNA)
where:
Base-Base interactions energy: -37.176
where: short stacking energy: -35.894
Base-Backbone interact. energy: -0.062
local terms energy: -53.789409
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -93.174041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.174041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.174041 (E_RNA)
where:
Base-Base interactions energy: -41.921
where: short stacking energy: -38.888
Base-Backbone interact. energy: -0.112
local terms energy: -51.141447
where:
bonds (distance) C4'-P energy: -6.929
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -9.821
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: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -88.919498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.919498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.919498 (E_RNA)
where:
Base-Base interactions energy: -43.412
where: short stacking energy: -39.201
Base-Backbone interact. energy: -0.038
local terms energy: -45.469283
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -107.800745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.800745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.800745 (E_RNA)
where:
Base-Base interactions energy: -53.717
where: short stacking energy: -38.100
Base-Backbone interact. energy: -0.098
local terms energy: -53.986199
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -7.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -77.039774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.039774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.039774 (E_RNA)
where:
Base-Base interactions energy: -31.089
where: short stacking energy: -30.047
Base-Backbone interact. energy: 0.058
local terms energy: -46.008813
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -215.808170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.808170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.808170 (E_RNA)
where:
Base-Base interactions energy: -152.474
where: short stacking energy: -50.811
Base-Backbone interact. energy: -1.386
local terms energy: -61.947932
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -7.559
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: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -210.019253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.019253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.019253 (E_RNA)
where:
Base-Base interactions energy: -134.316
where: short stacking energy: -65.999
Base-Backbone interact. energy: -0.060
local terms energy: -75.643767
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -7.117
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: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -172.967181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.967181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.967181 (E_RNA)
where:
Base-Base interactions energy: -105.062
where: short stacking energy: -57.581
Base-Backbone interact. energy: -0.051
local terms energy: -67.854039
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -10.235
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: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -188.895570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.895570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.895570 (E_RNA)
where:
Base-Base interactions energy: -121.711
where: short stacking energy: -58.879
Base-Backbone interact. energy: 0.497
local terms energy: -67.680953
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -9.205
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: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -165.033650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.033650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.033650 (E_RNA)
where:
Base-Base interactions energy: -98.825
where: short stacking energy: -53.735
Base-Backbone interact. energy: -0.003
local terms energy: -66.205304
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -9.605
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -13.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -94.843917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.843917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.843917 (E_RNA)
where:
Base-Base interactions energy: -41.868
where: short stacking energy: -41.868
Base-Backbone interact. energy: -0.178
local terms energy: -52.798107
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -87.837072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.837072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.837072 (E_RNA)
where:
Base-Base interactions energy: -39.089
where: short stacking energy: -27.689
Base-Backbone interact. energy: -0.249
local terms energy: -48.499191
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -99.189995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.189995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.189995 (E_RNA)
where:
Base-Base interactions energy: -43.417
where: short stacking energy: -27.783
Base-Backbone interact. energy: -0.313
local terms energy: -55.460398
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -83.250203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.250203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.250203 (E_RNA)
where:
Base-Base interactions energy: -27.816
where: short stacking energy: -24.573
Base-Backbone interact. energy: -0.600
local terms energy: -54.835058
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -84.549763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.549763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.549763 (E_RNA)
where:
Base-Base interactions energy: -32.650
where: short stacking energy: -31.555
Base-Backbone interact. energy: -0.223
local terms energy: -51.676352
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -211.248165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.248165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.248165 (E_RNA)
where:
Base-Base interactions energy: -149.507
where: short stacking energy: -63.699
Base-Backbone interact. energy: -0.297
local terms energy: -61.444172
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -8.525
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: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -204.074596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.074596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.074596 (E_RNA)
where:
Base-Base interactions energy: -140.054
where: short stacking energy: -60.205
Base-Backbone interact. energy: -0.143
local terms energy: -63.877730
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -11.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -173.945019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.945019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.945019 (E_RNA)
where:
Base-Base interactions energy: -102.890
where: short stacking energy: -57.761
Base-Backbone interact. energy: -0.132
local terms energy: -70.923310
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -13.960
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: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -154.077941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.077941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.077941 (E_RNA)
where:
Base-Base interactions energy: -90.210
where: short stacking energy: -42.640
Base-Backbone interact. energy: -0.463
local terms energy: -63.404404
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -6.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -162.767152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.767152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.767152 (E_RNA)
where:
Base-Base interactions energy: -95.177
where: short stacking energy: -49.803
Base-Backbone interact. energy: -0.251
local terms energy: -67.339475
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -13.667
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: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -103.669473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.669473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.669473 (E_RNA)
where:
Base-Base interactions energy: -38.536
where: short stacking energy: -37.676
Base-Backbone interact. energy: -0.095
local terms energy: -65.038551
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -116.862405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.862405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.862405 (E_RNA)
where:
Base-Base interactions energy: -57.360
where: short stacking energy: -55.188
Base-Backbone interact. energy: -0.004
local terms energy: -59.498935
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -11.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -94.673705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.673705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.673705 (E_RNA)
where:
Base-Base interactions energy: -37.174
where: short stacking energy: -33.002
Base-Backbone interact. energy: 0.230
local terms energy: -57.729298
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -7.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -84.390671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.390671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.390671 (E_RNA)
where:
Base-Base interactions energy: -34.520
where: short stacking energy: -31.125
Base-Backbone interact. energy: -0.721
local terms energy: -49.149732
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -83.901971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.901971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.901971 (E_RNA)
where:
Base-Base interactions energy: -29.060
where: short stacking energy: -29.060
Base-Backbone interact. energy: -0.133
local terms energy: -54.708443
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -206.069765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.069765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.069765 (E_RNA)
where:
Base-Base interactions energy: -135.270
where: short stacking energy: -58.165
Base-Backbone interact. energy: -0.303
local terms energy: -70.496771
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -202.571969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.571969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.571969 (E_RNA)
where:
Base-Base interactions energy: -139.597
where: short stacking energy: -61.474
Base-Backbone interact. energy: -0.030
local terms energy: -62.945202
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -14.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -181.042365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.042365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.042365 (E_RNA)
where:
Base-Base interactions energy: -110.664
where: short stacking energy: -69.731
Base-Backbone interact. energy: -0.063
local terms energy: -70.315064
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -160.661315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.661315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.661315 (E_RNA)
where:
Base-Base interactions energy: -98.682
where: short stacking energy: -47.416
Base-Backbone interact. energy: -0.076
local terms energy: -61.902485
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -165.729170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.729170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.729170 (E_RNA)
where:
Base-Base interactions energy: -106.366
where: short stacking energy: -48.781
Base-Backbone interact. energy: -0.127
local terms energy: -59.236015
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -11.626
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: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -94.601483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.601483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.601483 (E_RNA)
where:
Base-Base interactions energy: -39.475
where: short stacking energy: -39.475
Base-Backbone interact. energy: -0.022
local terms energy: -55.103801
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -6.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -98.241081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.241081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.241081 (E_RNA)
where:
Base-Base interactions energy: -37.663
where: short stacking energy: -34.178
Base-Backbone interact. energy: -0.158
local terms energy: -60.419406
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -86.295962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.295962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.295962 (E_RNA)
where:
Base-Base interactions energy: -40.853
where: short stacking energy: -31.448
Base-Backbone interact. energy: -0.174
local terms energy: -45.268141
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -83.578902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.578902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.578902 (E_RNA)
where:
Base-Base interactions energy: -26.291
where: short stacking energy: -26.491
Base-Backbone interact. energy: 0.021
local terms energy: -57.308659
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -9.194
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -71.554616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.554616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.554616 (E_RNA)
where:
Base-Base interactions energy: -23.360
where: short stacking energy: -21.062
Base-Backbone interact. energy: 0.151
local terms energy: -48.345045
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: 3.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -197.778074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.778074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.778074 (E_RNA)
where:
Base-Base interactions energy: -131.090
where: short stacking energy: -51.942
Base-Backbone interact. energy: -0.437
local terms energy: -66.251940
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -11.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -200.328630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.328630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.328630 (E_RNA)
where:
Base-Base interactions energy: -130.138
where: short stacking energy: -49.275
Base-Backbone interact. energy: 0.535
local terms energy: -70.725819
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -13.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -172.380134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.380134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.380134 (E_RNA)
where:
Base-Base interactions energy: -103.136
where: short stacking energy: -57.281
Base-Backbone interact. energy: -0.026
local terms energy: -69.218491
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -8.368
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: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -171.907590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.907590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.907590 (E_RNA)
where:
Base-Base interactions energy: -101.736
where: short stacking energy: -54.322
Base-Backbone interact. energy: 1.300
local terms energy: -71.472259
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -13.529
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: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -165.945325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.945325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.945325 (E_RNA)
where:
Base-Base interactions energy: -102.985
where: short stacking energy: -56.311
Base-Backbone interact. energy: -0.741
local terms energy: -62.219073
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -94.151285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.151285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.151285 (E_RNA)
where:
Base-Base interactions energy: -32.794
where: short stacking energy: -32.794
Base-Backbone interact. energy: -0.074
local terms energy: -61.282883
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -83.121767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.121767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.121767 (E_RNA)
where:
Base-Base interactions energy: -36.699
where: short stacking energy: -25.767
Base-Backbone interact. energy: -0.294
local terms energy: -46.128510
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -90.015761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.015761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.015761 (E_RNA)
where:
Base-Base interactions energy: -39.258
where: short stacking energy: -32.371
Base-Backbone interact. energy: 1.511
local terms energy: -52.269182
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -7.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -80.137721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.137721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.137721 (E_RNA)
where:
Base-Base interactions energy: -28.647
where: short stacking energy: -21.754
Base-Backbone interact. energy: -0.263
local terms energy: -51.228406
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -85.283481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.283481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.283481 (E_RNA)
where:
Base-Base interactions energy: -35.590
where: short stacking energy: -22.317
Base-Backbone interact. energy: -0.062
local terms energy: -49.631426
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -194.816012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.816012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.816012 (E_RNA)
where:
Base-Base interactions energy: -127.947
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.516
local terms energy: -66.353043
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -196.829442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.829442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.829442 (E_RNA)
where:
Base-Base interactions energy: -130.645
where: short stacking energy: -54.099
Base-Backbone interact. energy: 0.133
local terms energy: -66.317330
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -10.272
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: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -187.953557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.953557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.953557 (E_RNA)
where:
Base-Base interactions energy: -112.821
where: short stacking energy: -52.234
Base-Backbone interact. energy: -0.011
local terms energy: -75.121853
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -20.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -163.762960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.762960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.762960 (E_RNA)
where:
Base-Base interactions energy: -102.144
where: short stacking energy: -59.260
Base-Backbone interact. energy: -0.130
local terms energy: -61.489586
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -10.089
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -154.441539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.441539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.441539 (E_RNA)
where:
Base-Base interactions energy: -91.926
where: short stacking energy: -53.146
Base-Backbone interact. energy: 0.416
local terms energy: -62.932236
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -12.944
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: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -104.329947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.329947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.329947 (E_RNA)
where:
Base-Base interactions energy: -49.815
where: short stacking energy: -49.815
Base-Backbone interact. energy: -0.000
local terms energy: -54.514967
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -10.159
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -90.719742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.719742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.719742 (E_RNA)
where:
Base-Base interactions energy: -43.264
where: short stacking energy: -27.640
Base-Backbone interact. energy: -0.355
local terms energy: -47.100638
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: 3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -95.867866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.867866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.867866 (E_RNA)
where:
Base-Base interactions energy: -40.731
where: short stacking energy: -27.554
Base-Backbone interact. energy: -1.019
local terms energy: -54.117844
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -80.369045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.369045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.369045 (E_RNA)
where:
Base-Base interactions energy: -39.250
where: short stacking energy: -31.556
Base-Backbone interact. energy: -0.383
local terms energy: -40.736135
where:
bonds (distance) C4'-P energy: -8.205
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -86.043333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.043333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.043333 (E_RNA)
where:
Base-Base interactions energy: -37.848
where: short stacking energy: -33.273
Base-Backbone interact. energy: -1.117
local terms energy: -47.078838
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -191.191632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.191632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.191632 (E_RNA)
where:
Base-Base interactions energy: -126.762
where: short stacking energy: -68.401
Base-Backbone interact. energy: -0.537
local terms energy: -63.893079
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -14.321
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: 2, replica: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -199.695771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.695771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.695771 (E_RNA)
where:
Base-Base interactions energy: -134.471
where: short stacking energy: -53.958
Base-Backbone interact. energy: -0.180
local terms energy: -65.045435
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -166.552684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.552684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.552684 (E_RNA)
where:
Base-Base interactions energy: -103.542
where: short stacking energy: -54.289
Base-Backbone interact. energy: -0.015
local terms energy: -62.995760
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -158.791756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.791756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.791756 (E_RNA)
where:
Base-Base interactions energy: -95.091
where: short stacking energy: -51.710
Base-Backbone interact. energy: -0.299
local terms energy: -63.401579
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -8.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -151.437610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.437610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.437610 (E_RNA)
where:
Base-Base interactions energy: -87.104
where: short stacking energy: -39.462
Base-Backbone interact. energy: -0.192
local terms energy: -64.141903
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -13.410
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: 297
Temperature: 1.150000
Total energy: -102.699968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.699968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.699968 (E_RNA)
where:
Base-Base interactions energy: -47.073
where: short stacking energy: -46.892
Base-Backbone interact. energy: -0.098
local terms energy: -55.528719
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -9.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -88.755004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.755004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.755004 (E_RNA)
where:
Base-Base interactions energy: -33.440
where: short stacking energy: -33.440
Base-Backbone interact. energy: -0.098
local terms energy: -55.216797
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -6.555
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: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -90.320950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.320950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.320950 (E_RNA)
where:
Base-Base interactions energy: -36.210
where: short stacking energy: -31.998
Base-Backbone interact. energy: -0.478
local terms energy: -53.633379
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -5.089
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: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -97.160544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.160544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.160544 (E_RNA)
where:
Base-Base interactions energy: -55.317
where: short stacking energy: -38.478
Base-Backbone interact. energy: 0.100
local terms energy: -41.942704
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -6.391
flat angles P-C4'-P energy: -3.661
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -85.973905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.973905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.973905 (E_RNA)
where:
Base-Base interactions energy: -41.223
where: short stacking energy: -29.244
Base-Backbone interact. energy: -0.075
local terms energy: -44.676065
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -202.098802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.098802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.098802 (E_RNA)
where:
Base-Base interactions energy: -129.816
where: short stacking energy: -59.089
Base-Backbone interact. energy: -0.021
local terms energy: -72.261742
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -16.436
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: 298
Temperature: 0.950000
Total energy: -189.705178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.705178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.705178 (E_RNA)
where:
Base-Base interactions energy: -128.222
where: short stacking energy: -57.112
Base-Backbone interact. energy: 0.298
local terms energy: -61.781417
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -13.563
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: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -188.728428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.728428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.728428 (E_RNA)
where:
Base-Base interactions energy: -127.723
where: short stacking energy: -66.040
Base-Backbone interact. energy: -0.088
local terms energy: -60.918153
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -186.018877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.018877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.018877 (E_RNA)
where:
Base-Base interactions energy: -127.369
where: short stacking energy: -56.098
Base-Backbone interact. energy: -0.001
local terms energy: -58.648561
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -9.188
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -157.298434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.298434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.298434 (E_RNA)
where:
Base-Base interactions energy: -92.330
where: short stacking energy: -42.763
Base-Backbone interact. energy: -0.030
local terms energy: -64.937636
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -103.425744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.425744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.425744 (E_RNA)
where:
Base-Base interactions energy: -52.595
where: short stacking energy: -50.205
Base-Backbone interact. energy: -0.105
local terms energy: -50.725673
where:
bonds (distance) C4'-P energy: -5.426
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -6.505
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: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -86.647886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.647886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.647886 (E_RNA)
where:
Base-Base interactions energy: -34.619
where: short stacking energy: -31.871
Base-Backbone interact. energy: -0.509
local terms energy: -51.520710
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -87.134656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.134656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.134656 (E_RNA)
where:
Base-Base interactions energy: -38.732
where: short stacking energy: -34.381
Base-Backbone interact. energy: -0.101
local terms energy: -48.301049
where:
bonds (distance) C4'-P energy: -6.580
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -85.819052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.819052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.819052 (E_RNA)
where:
Base-Base interactions energy: -40.353
where: short stacking energy: -28.643
Base-Backbone interact. energy: -0.104
local terms energy: -45.362163
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -8.160
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -75.359923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.359923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.359923 (E_RNA)
where:
Base-Base interactions energy: -35.631
where: short stacking energy: -34.113
Base-Backbone interact. energy: -1.441
local terms energy: -38.288669
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: 0.055
tors. eta vs tors. theta energy: -5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -203.987361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.987361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.987361 (E_RNA)
where:
Base-Base interactions energy: -135.822
where: short stacking energy: -53.702
Base-Backbone interact. energy: -0.039
local terms energy: -68.126151
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -195.716238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.716238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.716238 (E_RNA)
where:
Base-Base interactions energy: -134.073
where: short stacking energy: -62.529
Base-Backbone interact. energy: -0.055
local terms energy: -61.588696
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -9.386
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -15.314
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: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -196.457759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.457759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.457759 (E_RNA)
where:
Base-Base interactions energy: -125.056
where: short stacking energy: -51.860
Base-Backbone interact. energy: -0.092
local terms energy: -71.310268
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -10.785
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: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -164.401431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.401431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.401431 (E_RNA)
where:
Base-Base interactions energy: -93.675
where: short stacking energy: -54.075
Base-Backbone interact. energy: -0.123
local terms energy: -70.604079
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -10.706
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: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -174.798259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.798259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.798259 (E_RNA)
where:
Base-Base interactions energy: -106.089
where: short stacking energy: -52.759
Base-Backbone interact. energy: -0.927
local terms energy: -67.782140
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -103.508293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.508293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.508293 (E_RNA)
where:
Base-Base interactions energy: -50.639
where: short stacking energy: -43.149
Base-Backbone interact. energy: -0.302
local terms energy: -52.567620
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -3.060
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: 7, replica: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -89.163111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.163111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.163111 (E_RNA)
where:
Base-Base interactions energy: -33.792
where: short stacking energy: -30.493
Base-Backbone interact. energy: -0.117
local terms energy: -55.253584
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -98.391470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.391470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.391470 (E_RNA)
where:
Base-Base interactions energy: -47.971
where: short stacking energy: -31.343
Base-Backbone interact. energy: -0.098
local terms energy: -50.322981
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -7.915
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -74.455834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.455834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.455834 (E_RNA)
where:
Base-Base interactions energy: -29.267
where: short stacking energy: -29.267
Base-Backbone interact. energy: 3.990
local terms energy: -49.178258
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: 0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -82.321520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.321520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.321520 (E_RNA)
where:
Base-Base interactions energy: -28.445
where: short stacking energy: -26.763
Base-Backbone interact. energy: -0.134
local terms energy: -53.741916
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -205.289562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.289562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.289562 (E_RNA)
where:
Base-Base interactions energy: -141.596
where: short stacking energy: -64.185
Base-Backbone interact. energy: -0.002
local terms energy: -63.691283
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -13.255
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: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -194.294474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.294474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.294474 (E_RNA)
where:
Base-Base interactions energy: -122.177
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.059
local terms energy: -72.057961
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -199.336619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.336619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.336619 (E_RNA)
where:
Base-Base interactions energy: -129.591
where: short stacking energy: -60.292
Base-Backbone interact. energy: -0.041
local terms energy: -69.704155
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -14.499
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: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -178.601697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.601697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.601697 (E_RNA)
where:
Base-Base interactions energy: -107.752
where: short stacking energy: -58.579
Base-Backbone interact. energy: -1.405
local terms energy: -69.444680
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -160.413666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.413666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.413666 (E_RNA)
where:
Base-Base interactions energy: -94.268
where: short stacking energy: -55.861
Base-Backbone interact. energy: -0.029
local terms energy: -66.116602
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -96.562424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.562424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.562424 (E_RNA)
where:
Base-Base interactions energy: -40.635
where: short stacking energy: -38.923
Base-Backbone interact. energy: -0.083
local terms energy: -55.844547
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -85.169723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.169723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.169723 (E_RNA)
where:
Base-Base interactions energy: -25.371
where: short stacking energy: -25.303
Base-Backbone interact. energy: -0.595
local terms energy: -59.203579
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -85.358028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.358028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.358028 (E_RNA)
where:
Base-Base interactions energy: -33.556
where: short stacking energy: -33.089
Base-Backbone interact. energy: -0.022
local terms energy: -51.780129
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -3.136
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: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -87.910287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.910287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.910287 (E_RNA)
where:
Base-Base interactions energy: -35.089
where: short stacking energy: -34.811
Base-Backbone interact. energy: 0.226
local terms energy: -53.047275
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -83.467989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.467989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.467989 (E_RNA)
where:
Base-Base interactions energy: -28.739
where: short stacking energy: -23.724
Base-Backbone interact. energy: -0.846
local terms energy: -53.883113
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -0.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -201.815072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.815072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.815072 (E_RNA)
where:
Base-Base interactions energy: -135.148
where: short stacking energy: -48.278
Base-Backbone interact. energy: -0.140
local terms energy: -66.527372
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -12.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -196.736232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.736232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.736232 (E_RNA)
where:
Base-Base interactions energy: -125.926
where: short stacking energy: -72.703
Base-Backbone interact. energy: -0.039
local terms energy: -70.770887
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -6.324
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: 3, replica: 6
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -187.729563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.729563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.729563 (E_RNA)
where:
Base-Base interactions energy: -119.205
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.041
local terms energy: -68.483096
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -172.461303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.461303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.461303 (E_RNA)
where:
Base-Base interactions energy: -108.918
where: short stacking energy: -53.372
Base-Backbone interact. energy: -0.117
local terms energy: -63.425505
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -166.877583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.877583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.877583 (E_RNA)
where:
Base-Base interactions energy: -100.935
where: short stacking energy: -52.787
Base-Backbone interact. energy: -0.028
local terms energy: -65.914219
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -9.167
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: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -114.166953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.166953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.166953 (E_RNA)
where:
Base-Base interactions energy: -53.969
where: short stacking energy: -33.127
Base-Backbone interact. energy: -0.108
local terms energy: -60.089878
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -2.538
tors. eta vs tors. theta energy: -7.702
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: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -96.767161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.767161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.767161 (E_RNA)
where:
Base-Base interactions energy: -41.333
where: short stacking energy: -32.789
Base-Backbone interact. energy: -0.285
local terms energy: -55.149004
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -3.432
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: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -92.078113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.078113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.078113 (E_RNA)
where:
Base-Base interactions energy: -34.749
where: short stacking energy: -29.591
Base-Backbone interact. energy: 0.346
local terms energy: -57.674624
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -88.769841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.769841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.769841 (E_RNA)
where:
Base-Base interactions energy: -36.928
where: short stacking energy: -36.395
Base-Backbone interact. energy: -0.003
local terms energy: -51.839525
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -5.743
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: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -77.262601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.262601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.262601 (E_RNA)
where:
Base-Base interactions energy: -27.301
where: short stacking energy: -27.041
Base-Backbone interact. energy: -0.175
local terms energy: -49.786780
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -207.397243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.397243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.397243 (E_RNA)
where:
Base-Base interactions energy: -131.176
where: short stacking energy: -63.429
Base-Backbone interact. energy: -0.026
local terms energy: -76.194723
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -210.932151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.932151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.932151 (E_RNA)
where:
Base-Base interactions energy: -143.888
where: short stacking energy: -62.122
Base-Backbone interact. energy: -0.012
local terms energy: -67.031597
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -171.645436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.645436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.645436 (E_RNA)
where:
Base-Base interactions energy: -100.876
where: short stacking energy: -54.288
Base-Backbone interact. energy: -0.006
local terms energy: -70.762753
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -7.984
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: 4, replica: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -170.128033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.128033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.128033 (E_RNA)
where:
Base-Base interactions energy: -120.034
where: short stacking energy: -48.541
Base-Backbone interact. energy: -0.152
local terms energy: -49.941867
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -157.412726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.412726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.412726 (E_RNA)
where:
Base-Base interactions energy: -97.883
where: short stacking energy: -50.706
Base-Backbone interact. energy: -0.170
local terms energy: -59.360172
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -107.897230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.897230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.897230 (E_RNA)
where:
Base-Base interactions energy: -52.415
where: short stacking energy: -26.808
Base-Backbone interact. energy: -0.386
local terms energy: -55.096393
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -87.433129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.433129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.433129 (E_RNA)
where:
Base-Base interactions energy: -32.389
where: short stacking energy: -32.389
Base-Backbone interact. energy: -0.236
local terms energy: -54.808082
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -107.495864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.495864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.495864 (E_RNA)
where:
Base-Base interactions energy: -54.804
where: short stacking energy: -34.159
Base-Backbone interact. energy: -0.643
local terms energy: -52.049493
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -88.110661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.110661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.110661 (E_RNA)
where:
Base-Base interactions energy: -37.344
where: short stacking energy: -36.148
Base-Backbone interact. energy: -0.258
local terms energy: -50.508308
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -79.055361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.055361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.055361 (E_RNA)
where:
Base-Base interactions energy: -23.692
where: short stacking energy: -20.676
Base-Backbone interact. energy: 0.206
local terms energy: -55.569028
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -203.956589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.956589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.956589 (E_RNA)
where:
Base-Base interactions energy: -126.273
where: short stacking energy: -68.344
Base-Backbone interact. energy: -0.422
local terms energy: -77.261369
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -11.751
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: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -204.547024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.547024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.547024 (E_RNA)
where:
Base-Base interactions energy: -146.964
where: short stacking energy: -66.822
Base-Backbone interact. energy: -0.423
local terms energy: -57.160232
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -182.422578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.422578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.422578 (E_RNA)
where:
Base-Base interactions energy: -112.579
where: short stacking energy: -52.944
Base-Backbone interact. energy: -1.139
local terms energy: -68.704406
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -177.561925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.561925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.561925 (E_RNA)
where:
Base-Base interactions energy: -113.155
where: short stacking energy: -51.123
Base-Backbone interact. energy: -0.089
local terms energy: -64.317494
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -156.699599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.699599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.699599 (E_RNA)
where:
Base-Base interactions energy: -96.758
where: short stacking energy: -48.093
Base-Backbone interact. energy: -0.633
local terms energy: -59.308544
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -98.046646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.046646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.046646 (E_RNA)
where:
Base-Base interactions energy: -46.816
where: short stacking energy: -44.160
Base-Backbone interact. energy: -0.185
local terms energy: -51.045555
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -95.752987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.752987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.752987 (E_RNA)
where:
Base-Base interactions energy: -48.272
where: short stacking energy: -29.958
Base-Backbone interact. energy: -0.307
local terms energy: -47.174044
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -93.096852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.096852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.096852 (E_RNA)
where:
Base-Base interactions energy: -36.839
where: short stacking energy: -36.839
Base-Backbone interact. energy: -0.023
local terms energy: -56.234777
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -75.951265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.951265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.951265 (E_RNA)
where:
Base-Base interactions energy: -28.638
where: short stacking energy: -20.522
Base-Backbone interact. energy: -0.837
local terms energy: -46.476304
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: 0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -76.029925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.029925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.029925 (E_RNA)
where:
Base-Base interactions energy: -24.758
where: short stacking energy: -24.500
Base-Backbone interact. energy: 1.542
local terms energy: -52.813840
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -214.847977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.847977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.847977 (E_RNA)
where:
Base-Base interactions energy: -142.519
where: short stacking energy: -66.187
Base-Backbone interact. energy: -0.048
local terms energy: -72.280767
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -197.040041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.040041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.040041 (E_RNA)
where:
Base-Base interactions energy: -126.738
where: short stacking energy: -57.685
Base-Backbone interact. energy: 0.463
local terms energy: -70.765780
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -12.111
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: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -177.024889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.024889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.024889 (E_RNA)
where:
Base-Base interactions energy: -102.960
where: short stacking energy: -62.048
Base-Backbone interact. energy: -0.001
local terms energy: -74.063570
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -16.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -171.101598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.101598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.101598 (E_RNA)
where:
Base-Base interactions energy: -113.418
where: short stacking energy: -54.307
Base-Backbone interact. energy: -0.006
local terms energy: -57.677719
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -6.403
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: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -167.833769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.833769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.833769 (E_RNA)
where:
Base-Base interactions energy: -100.154
where: short stacking energy: -52.917
Base-Backbone interact. energy: -0.056
local terms energy: -67.623554
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -9.262
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: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -104.009798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.009798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.009798 (E_RNA)
where:
Base-Base interactions energy: -44.763
where: short stacking energy: -40.294
Base-Backbone interact. energy: -0.362
local terms energy: -58.884189
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -10.159
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -9.670
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: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -88.688190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.688190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.688190 (E_RNA)
where:
Base-Base interactions energy: -38.562
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.050
local terms energy: -50.076922
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -8.110
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -112.433713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.433713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.433713 (E_RNA)
where:
Base-Base interactions energy: -54.750
where: short stacking energy: -43.140
Base-Backbone interact. energy: 0.729
local terms energy: -58.412547
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -7.713
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: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -92.782076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.782076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.782076 (E_RNA)
where:
Base-Base interactions energy: -38.913
where: short stacking energy: -32.209
Base-Backbone interact. energy: 2.196
local terms energy: -56.065038
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -4.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -84.931514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.931514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.931514 (E_RNA)
where:
Base-Base interactions energy: -27.378
where: short stacking energy: -24.750
Base-Backbone interact. energy: -0.746
local terms energy: -56.807722
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -209.984847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.984847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.984847 (E_RNA)
where:
Base-Base interactions energy: -139.041
where: short stacking energy: -67.350
Base-Backbone interact. energy: -0.140
local terms energy: -70.803532
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -191.588356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.588356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.588356 (E_RNA)
where:
Base-Base interactions energy: -121.742
where: short stacking energy: -49.430
Base-Backbone interact. energy: -0.148
local terms energy: -69.698629
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -172.770415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.770415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.770415 (E_RNA)
where:
Base-Base interactions energy: -101.657
where: short stacking energy: -60.355
Base-Backbone interact. energy: -0.013
local terms energy: -71.101140
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -173.275948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.275948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.275948 (E_RNA)
where:
Base-Base interactions energy: -103.285
where: short stacking energy: -51.383
Base-Backbone interact. energy: -0.211
local terms energy: -69.780591
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -12.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -177.627632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.627632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.627632 (E_RNA)
where:
Base-Base interactions energy: -119.521
where: short stacking energy: -47.090
Base-Backbone interact. energy: -0.144
local terms energy: -57.962317
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -9.881
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: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -115.779739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.779739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.779739 (E_RNA)
where:
Base-Base interactions energy: -53.423
where: short stacking energy: -47.141
Base-Backbone interact. energy: -1.063
local terms energy: -61.293681
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -88.140606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.140606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.140606 (E_RNA)
where:
Base-Base interactions energy: -39.660
where: short stacking energy: -17.720
Base-Backbone interact. energy: -0.137
local terms energy: -48.343622
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -91.921601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.921601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.921601 (E_RNA)
where:
Base-Base interactions energy: -44.076
where: short stacking energy: -34.772
Base-Backbone interact. energy: -0.108
local terms energy: -47.737611
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -96.726204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.726204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.726204 (E_RNA)
where:
Base-Base interactions energy: -51.802
where: short stacking energy: -31.491
Base-Backbone interact. energy: 0.599
local terms energy: -45.522611
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -10.534
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: 0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -79.513067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.513067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.513067 (E_RNA)
where:
Base-Base interactions energy: -27.931
where: short stacking energy: -18.630
Base-Backbone interact. energy: -0.537
local terms energy: -51.044625
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -1.633
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: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -189.288393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.288393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.288393 (E_RNA)
where:
Base-Base interactions energy: -110.297
where: short stacking energy: -63.261
Base-Backbone interact. energy: -0.000
local terms energy: -78.990924
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -11.156
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: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -202.383584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.383584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.383584 (E_RNA)
where:
Base-Base interactions energy: -130.960
where: short stacking energy: -65.415
Base-Backbone interact. energy: -0.035
local terms energy: -71.389279
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -176.579996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.579996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.579996 (E_RNA)
where:
Base-Base interactions energy: -110.932
where: short stacking energy: -64.594
Base-Backbone interact. energy: -0.000
local terms energy: -65.648191
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -17.872
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: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -170.176994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.176994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.176994 (E_RNA)
where:
Base-Base interactions energy: -101.726
where: short stacking energy: -65.323
Base-Backbone interact. energy: -0.039
local terms energy: -68.412798
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -181.306826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.306826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.306826 (E_RNA)
where:
Base-Base interactions energy: -119.032
where: short stacking energy: -56.319
Base-Backbone interact. energy: -0.397
local terms energy: -61.877645
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -93.485145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.485145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.485145 (E_RNA)
where:
Base-Base interactions energy: -42.115
where: short stacking energy: -31.179
Base-Backbone interact. energy: 0.634
local terms energy: -52.004962
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -91.368188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.368188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.368188 (E_RNA)
where:
Base-Base interactions energy: -34.700
where: short stacking energy: -34.700
Base-Backbone interact. energy: -0.064
local terms energy: -56.603820
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -88.274920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.274920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.274920 (E_RNA)
where:
Base-Base interactions energy: -29.712
where: short stacking energy: -27.765
Base-Backbone interact. energy: 1.067
local terms energy: -59.629925
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -79.508133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.508133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.508133 (E_RNA)
where:
Base-Base interactions energy: -26.010
where: short stacking energy: -23.697
Base-Backbone interact. energy: -0.534
local terms energy: -52.964221
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -73.822552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.822552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.822552 (E_RNA)
where:
Base-Base interactions energy: -20.371
where: short stacking energy: -17.686
Base-Backbone interact. energy: -0.208
local terms energy: -53.243343
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -0.683
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: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -205.654532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.654532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.654532 (E_RNA)
where:
Base-Base interactions energy: -132.938
where: short stacking energy: -69.622
Base-Backbone interact. energy: 0.009
local terms energy: -72.726186
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -12.701
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: 2, replica: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -179.306082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.306082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.306082 (E_RNA)
where:
Base-Base interactions energy: -109.710
where: short stacking energy: -60.863
Base-Backbone interact. energy: -0.760
local terms energy: -68.835876
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -9.188
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -18.826
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: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -199.867156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.867156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.867156 (E_RNA)
where:
Base-Base interactions energy: -131.155
where: short stacking energy: -53.010
Base-Backbone interact. energy: -0.122
local terms energy: -68.589867
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -13.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -189.193396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.193396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.193396 (E_RNA)
where:
Base-Base interactions energy: -118.890
where: short stacking energy: -56.965
Base-Backbone interact. energy: -0.828
local terms energy: -69.475617
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -14.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -166.261177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.261177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.261177 (E_RNA)
where:
Base-Base interactions energy: -101.731
where: short stacking energy: -58.406
Base-Backbone interact. energy: -0.009
local terms energy: -64.520871
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -96.892749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.892749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.892749 (E_RNA)
where:
Base-Base interactions energy: -55.733
where: short stacking energy: -46.918
Base-Backbone interact. energy: 2.228
local terms energy: -43.388457
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -8.021
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -96.566592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.566592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.566592 (E_RNA)
where:
Base-Base interactions energy: -38.741
where: short stacking energy: -37.718
Base-Backbone interact. energy: -0.148
local terms energy: -57.676681
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -10.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -84.728480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.728480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.728480 (E_RNA)
where:
Base-Base interactions energy: -37.620
where: short stacking energy: -28.965
Base-Backbone interact. energy: 1.728
local terms energy: -48.836171
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -80.855670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.855670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.855670 (E_RNA)
where:
Base-Base interactions energy: -27.878
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.112
local terms energy: -52.865017
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -79.348614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.348614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.348614 (E_RNA)
where:
Base-Base interactions energy: -35.116
where: short stacking energy: -33.107
Base-Backbone interact. energy: -0.161
local terms energy: -44.071079
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -196.359500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.359500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.359500 (E_RNA)
where:
Base-Base interactions energy: -121.051
where: short stacking energy: -68.844
Base-Backbone interact. energy: -0.114
local terms energy: -75.194496
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -198.297363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.297363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.297363 (E_RNA)
where:
Base-Base interactions energy: -121.609
where: short stacking energy: -66.981
Base-Backbone interact. energy: -0.183
local terms energy: -76.506179
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -11.366
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: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -181.921199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.921199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.921199 (E_RNA)
where:
Base-Base interactions energy: -114.549
where: short stacking energy: -55.531
Base-Backbone interact. energy: -0.175
local terms energy: -67.197593
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -188.123474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.123474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.123474 (E_RNA)
where:
Base-Base interactions energy: -118.281
where: short stacking energy: -50.551
Base-Backbone interact. energy: -0.105
local terms energy: -69.736901
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -12.428
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: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -147.021746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.021746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.021746 (E_RNA)
where:
Base-Base interactions energy: -82.832
where: short stacking energy: -47.935
Base-Backbone interact. energy: -0.024
local terms energy: -64.166134
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -107.805014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.805014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.805014 (E_RNA)
where:
Base-Base interactions energy: -52.771
where: short stacking energy: -47.491
Base-Backbone interact. energy: -0.197
local terms energy: -54.836898
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -125.595674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.595674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.595674 (E_RNA)
where:
Base-Base interactions energy: -81.327
where: short stacking energy: -29.482
Base-Backbone interact. energy: 0.146
local terms energy: -44.414645
where:
bonds (distance) C4'-P energy: -4.446
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -1.677
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: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -90.799906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.799906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.799906 (E_RNA)
where:
Base-Base interactions energy: -40.267
where: short stacking energy: -38.925
Base-Backbone interact. energy: -0.016
local terms energy: -50.517653
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -8.715
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -7.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -80.460006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.460006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.460006 (E_RNA)
where:
Base-Base interactions energy: -37.141
where: short stacking energy: -28.541
Base-Backbone interact. energy: -0.745
local terms energy: -42.574311
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: 2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -71.891887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.891887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.891887 (E_RNA)
where:
Base-Base interactions energy: -29.250
where: short stacking energy: -29.250
Base-Backbone interact. energy: -0.053
local terms energy: -42.588566
where:
bonds (distance) C4'-P energy: -5.978
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -193.221029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.221029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.221029 (E_RNA)
where:
Base-Base interactions energy: -115.491
where: short stacking energy: -70.662
Base-Backbone interact. energy: -0.006
local terms energy: -77.724332
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -201.291396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.291396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.291396 (E_RNA)
where:
Base-Base interactions energy: -128.632
where: short stacking energy: -69.365
Base-Backbone interact. energy: -0.085
local terms energy: -72.573830
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -20.150
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: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -194.180425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.180425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.180425 (E_RNA)
where:
Base-Base interactions energy: -125.088
where: short stacking energy: -68.178
Base-Backbone interact. energy: -0.018
local terms energy: -69.074017
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -10.627
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: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -187.133347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.133347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.133347 (E_RNA)
where:
Base-Base interactions energy: -121.175
where: short stacking energy: -50.267
Base-Backbone interact. energy: -0.029
local terms energy: -65.928838
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -156.988384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.988384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.988384 (E_RNA)
where:
Base-Base interactions energy: -93.448
where: short stacking energy: -52.136
Base-Backbone interact. energy: -0.001
local terms energy: -63.539517
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -157.298882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.298882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.298882 (E_RNA)
where:
Base-Base interactions energy: -99.978
where: short stacking energy: -49.517
Base-Backbone interact. energy: 0.013
local terms energy: -57.333866
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -6.041
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -88.282457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.282457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.282457 (E_RNA)
where:
Base-Base interactions energy: -39.137
where: short stacking energy: -34.109
Base-Backbone interact. energy: -0.097
local terms energy: -49.048367
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -91.032033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.032033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.032033 (E_RNA)
where:
Base-Base interactions energy: -33.986
where: short stacking energy: -34.289
Base-Backbone interact. energy: 2.237
local terms energy: -59.283640
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -84.806260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.806260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.806260 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -32.411
Base-Backbone interact. energy: -0.075
local terms energy: -52.320097
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -3.950
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: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -77.349414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.349414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.349414 (E_RNA)
where:
Base-Base interactions energy: -30.868
where: short stacking energy: -30.312
Base-Backbone interact. energy: 0.825
local terms energy: -47.306328
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -0.834
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -206.962188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.962188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.962188 (E_RNA)
where:
Base-Base interactions energy: -139.482
where: short stacking energy: -66.827
Base-Backbone interact. energy: -0.003
local terms energy: -67.477253
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -180.130143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.130143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.130143 (E_RNA)
where:
Base-Base interactions energy: -102.381
where: short stacking energy: -64.332
Base-Backbone interact. energy: -0.007
local terms energy: -77.742758
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -18.804
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: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -190.620270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.620270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.620270 (E_RNA)
where:
Base-Base interactions energy: -125.118
where: short stacking energy: -60.106
Base-Backbone interact. energy: -0.068
local terms energy: -65.434672
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -14.001
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: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -186.179703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.179703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.179703 (E_RNA)
where:
Base-Base interactions energy: -118.121
where: short stacking energy: -63.036
Base-Backbone interact. energy: -0.113
local terms energy: -67.945032
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -16.701
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: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -167.293406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.293406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.293406 (E_RNA)
where:
Base-Base interactions energy: -109.111
where: short stacking energy: -48.278
Base-Backbone interact. energy: -1.378
local terms energy: -56.804809
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -11.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -144.299502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.299502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.299502 (E_RNA)
where:
Base-Base interactions energy: -81.950
where: short stacking energy: -55.516
Base-Backbone interact. energy: -0.519
local terms energy: -61.829922
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -92.391788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.391788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.391788 (E_RNA)
where:
Base-Base interactions energy: -38.534
where: short stacking energy: -18.585
Base-Backbone interact. energy: -0.302
local terms energy: -53.555634
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -95.697661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.697661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.697661 (E_RNA)
where:
Base-Base interactions energy: -41.965
where: short stacking energy: -27.219
Base-Backbone interact. energy: 0.111
local terms energy: -53.843412
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -83.366862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.366862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.366862 (E_RNA)
where:
Base-Base interactions energy: -26.713
where: short stacking energy: -26.713
Base-Backbone interact. energy: -0.084
local terms energy: -56.569838
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -5.758
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: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -83.910233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.910233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.910233 (E_RNA)
where:
Base-Base interactions energy: -46.308
where: short stacking energy: -31.964
Base-Backbone interact. energy: 0.432
local terms energy: -38.034737
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -6.442
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -212.138524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.138524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.138524 (E_RNA)
where:
Base-Base interactions energy: -139.588
where: short stacking energy: -59.012
Base-Backbone interact. energy: -0.217
local terms energy: -72.333839
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -183.927431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.927431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.927431 (E_RNA)
where:
Base-Base interactions energy: -115.118
where: short stacking energy: -45.794
Base-Backbone interact. energy: 1.648
local terms energy: -70.457655
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -188.930516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.930516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.930516 (E_RNA)
where:
Base-Base interactions energy: -118.678
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.015
local terms energy: -70.237274
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -15.342
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: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -171.166258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.166258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.166258 (E_RNA)
where:
Base-Base interactions energy: -104.052
where: short stacking energy: -48.500
Base-Backbone interact. energy: 0.499
local terms energy: -67.613452
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -168.446131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.446131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.446131 (E_RNA)
where:
Base-Base interactions energy: -109.704
where: short stacking energy: -45.777
Base-Backbone interact. energy: -0.055
local terms energy: -58.687371
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -160.872150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.872150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.872150 (E_RNA)
where:
Base-Base interactions energy: -98.477
where: short stacking energy: -56.093
Base-Backbone interact. energy: -0.004
local terms energy: -62.390381
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -8.167
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: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -97.722618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.722618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.722618 (E_RNA)
where:
Base-Base interactions energy: -38.642
where: short stacking energy: -35.556
Base-Backbone interact. energy: -0.509
local terms energy: -58.571103
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -90.546072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.546072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.546072 (E_RNA)
where:
Base-Base interactions energy: -30.973
where: short stacking energy: -22.723
Base-Backbone interact. energy: 0.155
local terms energy: -59.727645
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -80.025649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.025649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.025649 (E_RNA)
where:
Base-Base interactions energy: -23.867
where: short stacking energy: -23.867
Base-Backbone interact. energy: -0.276
local terms energy: -55.882170
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -71.027946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.027946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.027946 (E_RNA)
where:
Base-Base interactions energy: -22.748
where: short stacking energy: -22.748
Base-Backbone interact. energy: 0.578
local terms energy: -48.858666
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: 0.835
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: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -200.017091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.017091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.017091 (E_RNA)
where:
Base-Base interactions energy: -131.289
where: short stacking energy: -62.470
Base-Backbone interact. energy: 1.138
local terms energy: -69.866329
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -192.900896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.900896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.900896 (E_RNA)
where:
Base-Base interactions energy: -123.383
where: short stacking energy: -57.762
Base-Backbone interact. energy: -0.151
local terms energy: -69.366981
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -11.329
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: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -172.287023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.287023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.287023 (E_RNA)
where:
Base-Base interactions energy: -105.432
where: short stacking energy: -50.448
Base-Backbone interact. energy: -0.624
local terms energy: -66.231015
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -168.402730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.402730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.402730 (E_RNA)
where:
Base-Base interactions energy: -98.447
where: short stacking energy: -45.482
Base-Backbone interact. energy: -0.121
local terms energy: -69.834936
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -11.287
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: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -180.987394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.987394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.987394 (E_RNA)
where:
Base-Base interactions energy: -112.088
where: short stacking energy: -62.346
Base-Backbone interact. energy: -0.002
local terms energy: -68.897625
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -163.351155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.351155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.351155 (E_RNA)
where:
Base-Base interactions energy: -101.297
where: short stacking energy: -55.571
Base-Backbone interact. energy: 0.174
local terms energy: -62.227486
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -12.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -92.570139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.570139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.570139 (E_RNA)
where:
Base-Base interactions energy: -31.503
where: short stacking energy: -30.667
Base-Backbone interact. energy: -0.318
local terms energy: -60.748935
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -88.745844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.745844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.745844 (E_RNA)
where:
Base-Base interactions energy: -38.959
where: short stacking energy: -38.514
Base-Backbone interact. energy: -0.169
local terms energy: -49.618060
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -84.364428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.364428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.364428 (E_RNA)
where:
Base-Base interactions energy: -39.022
where: short stacking energy: -25.748
Base-Backbone interact. energy: -0.164
local terms energy: -45.178306
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -2.336
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -74.451970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.451970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.451970 (E_RNA)
where:
Base-Base interactions energy: -29.312
where: short stacking energy: -28.648
Base-Backbone interact. energy: -0.099
local terms energy: -45.040410
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -5.850
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: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -201.998643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.998643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.998643 (E_RNA)
where:
Base-Base interactions energy: -129.736
where: short stacking energy: -62.335
Base-Backbone interact. energy: -0.003
local terms energy: -72.259689
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -180.880929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.880929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.880929 (E_RNA)
where:
Base-Base interactions energy: -121.736
where: short stacking energy: -30.295
Base-Backbone interact. energy: -0.183
local terms energy: -58.962009
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -193.971975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.971975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.971975 (E_RNA)
where:
Base-Base interactions energy: -123.704
where: short stacking energy: -53.544
Base-Backbone interact. energy: -0.409
local terms energy: -69.858964
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -10.603
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: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -200.656399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.656399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.656399 (E_RNA)
where:
Base-Base interactions energy: -128.079
where: short stacking energy: -66.844
Base-Backbone interact. energy: -0.328
local terms energy: -72.249210
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -9.736
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: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -181.274634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.274634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.274634 (E_RNA)
where:
Base-Base interactions energy: -112.922
where: short stacking energy: -53.914
Base-Backbone interact. energy: -0.006
local terms energy: -68.347172
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -151.127433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.127433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.127433 (E_RNA)
where:
Base-Base interactions energy: -93.095
where: short stacking energy: -53.870
Base-Backbone interact. energy: 0.699
local terms energy: -58.731350
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -11.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -94.795847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.795847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.795847 (E_RNA)
where:
Base-Base interactions energy: -33.718
where: short stacking energy: -30.890
Base-Backbone interact. energy: -0.096
local terms energy: -60.981963
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -4.337
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: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -90.645242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.645242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.645242 (E_RNA)
where:
Base-Base interactions energy: -32.372
where: short stacking energy: -28.590
Base-Backbone interact. energy: -0.451
local terms energy: -57.822213
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -9.133
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -84.323940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.323940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.323940 (E_RNA)
where:
Base-Base interactions energy: -33.918
where: short stacking energy: -23.966
Base-Backbone interact. energy: -0.089
local terms energy: -50.316359
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: 5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -73.400659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.400659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.400659 (E_RNA)
where:
Base-Base interactions energy: -20.566
where: short stacking energy: -20.163
Base-Backbone interact. energy: -0.005
local terms energy: -52.830204
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: 0.895
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: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -213.227871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.227871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.227871 (E_RNA)
where:
Base-Base interactions energy: -141.044
where: short stacking energy: -57.382
Base-Backbone interact. energy: -0.301
local terms energy: -71.883028
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -10.169
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: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -206.280983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.280983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.280983 (E_RNA)
where:
Base-Base interactions energy: -141.542
where: short stacking energy: -60.573
Base-Backbone interact. energy: -0.454
local terms energy: -64.284505
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -8.878
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -10.290
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: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -195.525020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.525020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.525020 (E_RNA)
where:
Base-Base interactions energy: -133.174
where: short stacking energy: -59.017
Base-Backbone interact. energy: -0.438
local terms energy: -61.913387
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -194.344130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.344130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.344130 (E_RNA)
where:
Base-Base interactions energy: -130.099
where: short stacking energy: -49.463
Base-Backbone interact. energy: -0.294
local terms energy: -63.951231
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -10.717
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: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -175.372839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.372839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.372839 (E_RNA)
where:
Base-Base interactions energy: -109.079
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.246
local terms energy: -66.047600
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -10.146
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: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -161.945974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.945974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.945974 (E_RNA)
where:
Base-Base interactions energy: -92.892
where: short stacking energy: -53.361
Base-Backbone interact. energy: -0.012
local terms energy: -69.041766
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -95.613823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.613823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.613823 (E_RNA)
where:
Base-Base interactions energy: -51.412
where: short stacking energy: -34.727
Base-Backbone interact. energy: -0.170
local terms energy: -44.031647
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -88.046190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.046190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.046190 (E_RNA)
where:
Base-Base interactions energy: -37.093
where: short stacking energy: -37.093
Base-Backbone interact. energy: -0.010
local terms energy: -50.943723
where:
bonds (distance) C4'-P energy: -8.116
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -88.442976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.442976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.442976 (E_RNA)
where:
Base-Base interactions energy: -39.704
where: short stacking energy: -24.048
Base-Backbone interact. energy: -0.306
local terms energy: -48.433029
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -6.778
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: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -80.384404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.384404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.384404 (E_RNA)
where:
Base-Base interactions energy: -34.384
where: short stacking energy: -34.384
Base-Backbone interact. energy: -0.106
local terms energy: -45.893555
where:
bonds (distance) C4'-P energy: -7.300
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -9.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -208.399479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.399479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.399479 (E_RNA)
where:
Base-Base interactions energy: -133.878
where: short stacking energy: -55.598
Base-Backbone interact. energy: -0.094
local terms energy: -74.427253
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -187.374588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.374588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.374588 (E_RNA)
where:
Base-Base interactions energy: -117.374
where: short stacking energy: -55.375
Base-Backbone interact. energy: -0.270
local terms energy: -69.730007
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -10.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -183.941894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.941894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.941894 (E_RNA)
where:
Base-Base interactions energy: -119.967
where: short stacking energy: -52.142
Base-Backbone interact. energy: -0.439
local terms energy: -63.535279
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -192.454212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.454212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.454212 (E_RNA)
where:
Base-Base interactions energy: -135.606
where: short stacking energy: -44.237
Base-Backbone interact. energy: -0.256
local terms energy: -56.592235
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -5.405
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: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -162.361232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.361232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.361232 (E_RNA)
where:
Base-Base interactions energy: -91.241
where: short stacking energy: -48.244
Base-Backbone interact. energy: -0.578
local terms energy: -70.542657
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -151.748029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.748029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.748029 (E_RNA)
where:
Base-Base interactions energy: -96.558
where: short stacking energy: -41.243
Base-Backbone interact. energy: -0.023
local terms energy: -55.167032
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -90.949531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.949531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.949531 (E_RNA)
where:
Base-Base interactions energy: -34.594
where: short stacking energy: -30.044
Base-Backbone interact. energy: -0.054
local terms energy: -56.301808
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -94.037419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.037419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.037419 (E_RNA)
where:
Base-Base interactions energy: -39.747
where: short stacking energy: -39.747
Base-Backbone interact. energy: -0.062
local terms energy: -54.228498
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -9.088
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: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -82.306630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.306630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.306630 (E_RNA)
where:
Base-Base interactions energy: -29.735
where: short stacking energy: -22.774
Base-Backbone interact. energy: -0.124
local terms energy: -52.447797
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -74.427654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.427654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.427654 (E_RNA)
where:
Base-Base interactions energy: -29.247
where: short stacking energy: -26.318
Base-Backbone interact. energy: -0.183
local terms energy: -44.998410
where:
bonds (distance) C4'-P energy: -6.522
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -206.410833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.410833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.410833 (E_RNA)
where:
Base-Base interactions energy: -132.045
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.245
local terms energy: -74.120440
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -7.142
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: 2, replica: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -202.986049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.986049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.986049 (E_RNA)
where:
Base-Base interactions energy: -132.168
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.008
local terms energy: -70.809704
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -175.561656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.561656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.561656 (E_RNA)
where:
Base-Base interactions energy: -113.520
where: short stacking energy: -49.438
Base-Backbone interact. energy: -0.116
local terms energy: -61.926256
where:
bonds (distance) C4'-P energy: -7.847
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -12.872
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: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -159.275796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.275796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.275796 (E_RNA)
where:
Base-Base interactions energy: -96.971
where: short stacking energy: -52.310
Base-Backbone interact. energy: -0.181
local terms energy: -62.123199
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -154.476995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.476995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.476995 (E_RNA)
where:
Base-Base interactions energy: -98.229
where: short stacking energy: -45.663
Base-Backbone interact. energy: -0.383
local terms energy: -55.865251
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -8.129
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: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -148.897122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.897122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.897122 (E_RNA)
where:
Base-Base interactions energy: -82.984
where: short stacking energy: -43.631
Base-Backbone interact. energy: -0.298
local terms energy: -65.615663
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -138.635587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.635587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.635587 (E_RNA)
where:
Base-Base interactions energy: -74.541
where: short stacking energy: -36.215
Base-Backbone interact. energy: -0.127
local terms energy: -63.967114
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -89.459324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.459324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.459324 (E_RNA)
where:
Base-Base interactions energy: -32.626
where: short stacking energy: -25.991
Base-Backbone interact. energy: -0.010
local terms energy: -56.823649
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -8.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -77.025556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.025556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.025556 (E_RNA)
where:
Base-Base interactions energy: -24.942
where: short stacking energy: -24.942
Base-Backbone interact. energy: -0.042
local terms energy: -52.040642
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -78.839916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.839916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.839916 (E_RNA)
where:
Base-Base interactions energy: -30.607
where: short stacking energy: -22.800
Base-Backbone interact. energy: -0.353
local terms energy: -47.879212
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -206.036857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.036857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.036857 (E_RNA)
where:
Base-Base interactions energy: -130.266
where: short stacking energy: -65.863
Base-Backbone interact. energy: -0.004
local terms energy: -75.766246
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -197.056178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.056178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.056178 (E_RNA)
where:
Base-Base interactions energy: -125.343
where: short stacking energy: -49.123
Base-Backbone interact. energy: 0.136
local terms energy: -71.849011
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -9.213
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: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -189.818809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.818809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.818809 (E_RNA)
where:
Base-Base interactions energy: -126.938
where: short stacking energy: -55.376
Base-Backbone interact. energy: -0.114
local terms energy: -62.766651
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -13.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -174.101345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.101345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.101345 (E_RNA)
where:
Base-Base interactions energy: -109.950
where: short stacking energy: -58.789
Base-Backbone interact. energy: -0.245
local terms energy: -63.905943
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -11.743
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: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -164.912982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.912982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.912982 (E_RNA)
where:
Base-Base interactions energy: -99.423
where: short stacking energy: -49.259
Base-Backbone interact. energy: 0.694
local terms energy: -66.183746
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -10.683
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: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -132.880066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.880066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.880066 (E_RNA)
where:
Base-Base interactions energy: -77.645
where: short stacking energy: -38.216
Base-Backbone interact. energy: -0.241
local terms energy: -54.994107
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -130.564999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.564999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.564999 (E_RNA)
where:
Base-Base interactions energy: -69.075
where: short stacking energy: -41.123
Base-Backbone interact. energy: -0.891
local terms energy: -60.598110
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -8.951
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: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -82.931303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.931303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.931303 (E_RNA)
where:
Base-Base interactions energy: -30.343
where: short stacking energy: -22.459
Base-Backbone interact. energy: -0.482
local terms energy: -52.106289
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: 1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -82.548697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.548697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.548697 (E_RNA)
where:
Base-Base interactions energy: -39.034
where: short stacking energy: -23.303
Base-Backbone interact. energy: -0.159
local terms energy: -43.356008
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -11.131
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: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -80.113851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.113851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.113851 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.042
local terms energy: -44.095914
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -7.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -200.576855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.576855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.576855 (E_RNA)
where:
Base-Base interactions energy: -129.663
where: short stacking energy: -64.402
Base-Backbone interact. energy: -1.120
local terms energy: -69.793744
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -181.735770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.735770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.735770 (E_RNA)
where:
Base-Base interactions energy: -115.844
where: short stacking energy: -58.516
Base-Backbone interact. energy: -0.013
local terms energy: -65.879006
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -10.733
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: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -183.361814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.361814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.361814 (E_RNA)
where:
Base-Base interactions energy: -126.678
where: short stacking energy: -52.415
Base-Backbone interact. energy: -1.200
local terms energy: -55.483417
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -176.018422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.018422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.018422 (E_RNA)
where:
Base-Base interactions energy: -115.072
where: short stacking energy: -60.295
Base-Backbone interact. energy: -0.079
local terms energy: -60.866764
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -13.440
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: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -164.496105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.496105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.496105 (E_RNA)
where:
Base-Base interactions energy: -104.434
where: short stacking energy: -50.734
Base-Backbone interact. energy: -0.200
local terms energy: -59.862168
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -7.670
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: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -115.002025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.002025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.002025 (E_RNA)
where:
Base-Base interactions energy: -48.458
where: short stacking energy: -44.506
Base-Backbone interact. energy: -0.114
local terms energy: -66.430247
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -87.713983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.713983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.713983 (E_RNA)
where:
Base-Base interactions energy: -34.504
where: short stacking energy: -29.431
Base-Backbone interact. energy: -0.126
local terms energy: -53.083710
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -132.727957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.727957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.727957 (E_RNA)
where:
Base-Base interactions energy: -77.313
where: short stacking energy: -44.891
Base-Backbone interact. energy: 0.361
local terms energy: -55.776396
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -6.701
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: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -111.446210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.446210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.446210 (E_RNA)
where:
Base-Base interactions energy: -50.624
where: short stacking energy: -37.031
Base-Backbone interact. energy: -0.516
local terms energy: -60.306181
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -105.078310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.078310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.078310 (E_RNA)
where:
Base-Base interactions energy: -48.780
where: short stacking energy: -41.544
Base-Backbone interact. energy: -0.104
local terms energy: -56.193768
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -7.921
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -13.333
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: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -204.306022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.306022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.306022 (E_RNA)
where:
Base-Base interactions energy: -133.472
where: short stacking energy: -66.682
Base-Backbone interact. energy: -1.938
local terms energy: -68.896075
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -11.326
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: 319
Temperature: 0.950000
Total energy: -200.460383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.460383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.460383 (E_RNA)
where:
Base-Base interactions energy: -125.630
where: short stacking energy: -61.892
Base-Backbone interact. energy: -0.125
local terms energy: -74.705779
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -196.097294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.097294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.097294 (E_RNA)
where:
Base-Base interactions energy: -124.503
where: short stacking energy: -51.369
Base-Backbone interact. energy: -0.156
local terms energy: -71.437859
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -18.818
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: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -171.987506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.987506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.987506 (E_RNA)
where:
Base-Base interactions energy: -102.093
where: short stacking energy: -55.371
Base-Backbone interact. energy: -0.503
local terms energy: -69.392278
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -11.085
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: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -161.182644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.182644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.182644 (E_RNA)
where:
Base-Base interactions energy: -99.265
where: short stacking energy: -47.620
Base-Backbone interact. energy: -0.015
local terms energy: -61.902199
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -10.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -91.568252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.568252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.568252 (E_RNA)
where:
Base-Base interactions energy: -39.260
where: short stacking energy: -35.958
Base-Backbone interact. energy: -0.018
local terms energy: -52.290272
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -120.215306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.215306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.215306 (E_RNA)
where:
Base-Base interactions energy: -57.722
where: short stacking energy: -44.095
Base-Backbone interact. energy: -0.122
local terms energy: -62.371420
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -8.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -90.064762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.064762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.064762 (E_RNA)
where:
Base-Base interactions energy: -40.733
where: short stacking energy: -40.733
Base-Backbone interact. energy: -0.554
local terms energy: -48.778081
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -106.750923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.750923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.750923 (E_RNA)
where:
Base-Base interactions energy: -56.774
where: short stacking energy: -31.829
Base-Backbone interact. energy: 0.373
local terms energy: -50.349401
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -79.892490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.892490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.892490 (E_RNA)
where:
Base-Base interactions energy: -34.174
where: short stacking energy: -34.174
Base-Backbone interact. energy: 0.825
local terms energy: -46.543459
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -205.904712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.904712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.904712 (E_RNA)
where:
Base-Base interactions energy: -133.004
where: short stacking energy: -57.697
Base-Backbone interact. energy: -0.094
local terms energy: -72.806045
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -8.299
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: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -202.374323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.374323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.374323 (E_RNA)
where:
Base-Base interactions energy: -127.704
where: short stacking energy: -62.347
Base-Backbone interact. energy: 1.072
local terms energy: -75.742047
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -171.374931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.374931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.374931 (E_RNA)
where:
Base-Base interactions energy: -106.666
where: short stacking energy: -53.030
Base-Backbone interact. energy: -0.004
local terms energy: -64.704726
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -12.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -172.160292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.160292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.160292 (E_RNA)
where:
Base-Base interactions energy: -110.048
where: short stacking energy: -62.404
Base-Backbone interact. energy: -0.744
local terms energy: -61.368182
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -103.577671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.577671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.577671 (E_RNA)
where:
Base-Base interactions energy: -45.316
where: short stacking energy: -45.316
Base-Backbone interact. energy: -0.019
local terms energy: -58.242608
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -8.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -169.994080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.994080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.994080 (E_RNA)
where:
Base-Base interactions energy: -96.932
where: short stacking energy: -51.919
Base-Backbone interact. energy: -0.085
local terms energy: -72.977323
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -99.773818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.773818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.773818 (E_RNA)
where:
Base-Base interactions energy: -43.487
where: short stacking energy: -35.065
Base-Backbone interact. energy: -1.339
local terms energy: -54.947540
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -8.623
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -103.949494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.949494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.949494 (E_RNA)
where:
Base-Base interactions energy: -46.904
where: short stacking energy: -30.133
Base-Backbone interact. energy: -0.082
local terms energy: -56.963536
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -8.986
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -81.217765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.217765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.217765 (E_RNA)
where:
Base-Base interactions energy: -32.316
where: short stacking energy: -28.207
Base-Backbone interact. energy: -0.292
local terms energy: -48.609476
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -8.744
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -85.973079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.973079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.973079 (E_RNA)
where:
Base-Base interactions energy: -27.474
where: short stacking energy: -27.023
Base-Backbone interact. energy: -0.109
local terms energy: -58.390374
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -212.503574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.503574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.503574 (E_RNA)
where:
Base-Base interactions energy: -137.544
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.045
local terms energy: -74.914306
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -203.600607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.600607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.600607 (E_RNA)
where:
Base-Base interactions energy: -136.620
where: short stacking energy: -63.399
Base-Backbone interact. energy: -0.007
local terms energy: -66.973157
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -18.388
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: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -182.231706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.231706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.231706 (E_RNA)
where:
Base-Base interactions energy: -118.418
where: short stacking energy: -55.893
Base-Backbone interact. energy: -0.023
local terms energy: -63.790470
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -124.733048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.733048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.733048 (E_RNA)
where:
Base-Base interactions energy: -58.894
where: short stacking energy: -59.794
Base-Backbone interact. energy: -0.028
local terms energy: -65.811947
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -11.268
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: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -174.217268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.217268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.217268 (E_RNA)
where:
Base-Base interactions energy: -108.403
where: short stacking energy: -59.405
Base-Backbone interact. energy: -1.936
local terms energy: -63.877940
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -156.214579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.214579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.214579 (E_RNA)
where:
Base-Base interactions energy: -103.148
where: short stacking energy: -47.780
Base-Backbone interact. energy: -0.139
local terms energy: -52.928179
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -1.233
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -134.076191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.076191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.076191 (E_RNA)
where:
Base-Base interactions energy: -80.456
where: short stacking energy: -38.189
Base-Backbone interact. energy: -0.112
local terms energy: -53.509110
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -90.941536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.941536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.941536 (E_RNA)
where:
Base-Base interactions energy: -36.940
where: short stacking energy: -33.416
Base-Backbone interact. energy: -0.759
local terms energy: -53.242670
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -96.578524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.578524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.578524 (E_RNA)
where:
Base-Base interactions energy: -37.103
where: short stacking energy: -37.103
Base-Backbone interact. energy: -0.002
local terms energy: -59.473376
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -12.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -75.979921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.979921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.979921 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -28.426
Base-Backbone interact. energy: 0.204
local terms energy: -43.397220
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -4.412
tors. eta vs tors. theta energy: 0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -207.605833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.605833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.605833 (E_RNA)
where:
Base-Base interactions energy: -136.003
where: short stacking energy: -64.982
Base-Backbone interact. energy: -0.102
local terms energy: -71.500141
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -175.016385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.016385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.016385 (E_RNA)
where:
Base-Base interactions energy: -107.187
where: short stacking energy: -53.220
Base-Backbone interact. energy: -0.929
local terms energy: -66.900315
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -185.703990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.703990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.703990 (E_RNA)
where:
Base-Base interactions energy: -118.687
where: short stacking energy: -51.296
Base-Backbone interact. energy: -0.765
local terms energy: -66.252219
where:
bonds (distance) C4'-P energy: -9.082
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -10.318
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: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -102.178671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.178671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.178671 (E_RNA)
where:
Base-Base interactions energy: -42.010
where: short stacking energy: -42.010
Base-Backbone interact. energy: -0.217
local terms energy: -59.952081
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -168.867170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.867170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.867170 (E_RNA)
where:
Base-Base interactions energy: -103.346
where: short stacking energy: -50.868
Base-Backbone interact. energy: -0.124
local terms energy: -65.397516
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -155.966486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.966486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.966486 (E_RNA)
where:
Base-Base interactions energy: -103.206
where: short stacking energy: -46.048
Base-Backbone interact. energy: -0.215
local terms energy: -52.545803
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -129.331301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.331301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.331301 (E_RNA)
where:
Base-Base interactions energy: -70.107
where: short stacking energy: -35.313
Base-Backbone interact. energy: -0.285
local terms energy: -58.939621
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: -7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -94.643410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.643410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.643410 (E_RNA)
where:
Base-Base interactions energy: -44.966
where: short stacking energy: -38.178
Base-Backbone interact. energy: -0.051
local terms energy: -49.626450
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -80.405338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.405338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.405338 (E_RNA)
where:
Base-Base interactions energy: -31.867
where: short stacking energy: -31.867
Base-Backbone interact. energy: -0.179
local terms energy: -48.360022
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -74.882138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.882138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.882138 (E_RNA)
where:
Base-Base interactions energy: -28.576
where: short stacking energy: -28.576
Base-Backbone interact. energy: 0.048
local terms energy: -46.353959
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -5.148
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -199.039369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.039369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.039369 (E_RNA)
where:
Base-Base interactions energy: -122.475
where: short stacking energy: -53.933
Base-Backbone interact. energy: -1.826
local terms energy: -74.738191
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -13.480
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: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -202.294546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.294546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.294546 (E_RNA)
where:
Base-Base interactions energy: -128.571
where: short stacking energy: -61.532
Base-Backbone interact. energy: -0.001
local terms energy: -73.722669
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -179.154690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.154690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.154690 (E_RNA)
where:
Base-Base interactions energy: -113.008
where: short stacking energy: -47.523
Base-Backbone interact. energy: -1.080
local terms energy: -65.066244
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -154.311484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.311484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.311484 (E_RNA)
where:
Base-Base interactions energy: -92.722
where: short stacking energy: -46.203
Base-Backbone interact. energy: -0.037
local terms energy: -61.552647
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -101.213770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.213770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.213770 (E_RNA)
where:
Base-Base interactions energy: -43.839
where: short stacking energy: -42.446
Base-Backbone interact. energy: -0.067
local terms energy: -57.307744
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -143.623477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.623477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.623477 (E_RNA)
where:
Base-Base interactions energy: -83.614
where: short stacking energy: -38.067
Base-Backbone interact. energy: -0.124
local terms energy: -59.885987
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -137.994394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.994394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.994394 (E_RNA)
where:
Base-Base interactions energy: -84.529
where: short stacking energy: -34.936
Base-Backbone interact. energy: -0.236
local terms energy: -53.229578
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -7.518
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: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -85.514328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.514328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.514328 (E_RNA)
where:
Base-Base interactions energy: -38.599
where: short stacking energy: -24.842
Base-Backbone interact. energy: 1.517
local terms energy: -48.431685
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -89.522281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.522281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.522281 (E_RNA)
where:
Base-Base interactions energy: -46.335
where: short stacking energy: -26.495
Base-Backbone interact. energy: 1.388
local terms energy: -44.575196
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -7.311
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: 1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -76.097760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.097760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.097760 (E_RNA)
where:
Base-Base interactions energy: -26.183
where: short stacking energy: -22.487
Base-Backbone interact. energy: -0.011
local terms energy: -49.903767
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -218.695450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.695450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.695450 (E_RNA)
where:
Base-Base interactions energy: -142.381
where: short stacking energy: -65.095
Base-Backbone interact. energy: -1.103
local terms energy: -75.211725
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -8.388
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: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -194.307553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.307553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.307553 (E_RNA)
where:
Base-Base interactions energy: -125.174
where: short stacking energy: -60.685
Base-Backbone interact. energy: -0.043
local terms energy: -69.090447
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -11.452
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: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -171.588689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.588689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.588689 (E_RNA)
where:
Base-Base interactions energy: -113.796
where: short stacking energy: -59.661
Base-Backbone interact. energy: -0.141
local terms energy: -57.651614
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -169.805630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.805630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.805630 (E_RNA)
where:
Base-Base interactions energy: -105.354
where: short stacking energy: -49.597
Base-Backbone interact. energy: -0.058
local terms energy: -64.394037
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -9.493
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: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -136.833876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.833876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.833876 (E_RNA)
where:
Base-Base interactions energy: -79.787
where: short stacking energy: -33.687
Base-Backbone interact. energy: 0.062
local terms energy: -57.108415
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -9.595
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: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -107.924744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.924744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.924744 (E_RNA)
where:
Base-Base interactions energy: -40.675
where: short stacking energy: -40.062
Base-Backbone interact. energy: -0.032
local terms energy: -67.217127
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -9.732
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: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -167.709943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.709943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.709943 (E_RNA)
where:
Base-Base interactions energy: -111.841
where: short stacking energy: -49.982
Base-Backbone interact. energy: -0.239
local terms energy: -55.629358
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -7.701
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -9.356
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: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -82.830744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.830744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.830744 (E_RNA)
where:
Base-Base interactions energy: -32.412
where: short stacking energy: -27.814
Base-Backbone interact. energy: -0.938
local terms energy: -49.480627
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -82.809488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.809488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.809488 (E_RNA)
where:
Base-Base interactions energy: -29.887
where: short stacking energy: -29.887
Base-Backbone interact. energy: -0.106
local terms energy: -52.816322
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -79.520742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.520742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.520742 (E_RNA)
where:
Base-Base interactions energy: -28.103
where: short stacking energy: -27.464
Base-Backbone interact. energy: -0.107
local terms energy: -51.310610
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -216.567028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.567028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.567028 (E_RNA)
where:
Base-Base interactions energy: -141.530
where: short stacking energy: -59.922
Base-Backbone interact. energy: -0.312
local terms energy: -74.724967
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -15.445
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: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -192.033518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.033518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.033518 (E_RNA)
where:
Base-Base interactions energy: -116.009
where: short stacking energy: -63.191
Base-Backbone interact. energy: 0.513
local terms energy: -76.537223
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -18.822
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: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -178.136442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.136442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.136442 (E_RNA)
where:
Base-Base interactions energy: -111.098
where: short stacking energy: -59.019
Base-Backbone interact. energy: -0.959
local terms energy: -66.078502
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -12.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -145.052975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.052975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.052975 (E_RNA)
where:
Base-Base interactions energy: -81.864
where: short stacking energy: -48.500
Base-Backbone interact. energy: -0.098
local terms energy: -63.091803
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -9.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -151.187136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.187136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.187136 (E_RNA)
where:
Base-Base interactions energy: -93.838
where: short stacking energy: -45.208
Base-Backbone interact. energy: -0.048
local terms energy: -57.301497
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -172.148691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.148691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.148691 (E_RNA)
where:
Base-Base interactions energy: -118.035
where: short stacking energy: -42.341
Base-Backbone interact. energy: -0.125
local terms energy: -53.987890
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -9.948
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -8.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -94.190839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.190839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.190839 (E_RNA)
where:
Base-Base interactions energy: -40.537
where: short stacking energy: -27.952
Base-Backbone interact. energy: -0.099
local terms energy: -53.555060
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -96.157026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.157026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.157026 (E_RNA)
where:
Base-Base interactions energy: -39.942
where: short stacking energy: -39.022
Base-Backbone interact. energy: -0.040
local terms energy: -56.175486
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -81.803121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.803121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.803121 (E_RNA)
where:
Base-Base interactions energy: -27.978
where: short stacking energy: -26.652
Base-Backbone interact. energy: -0.030
local terms energy: -53.795745
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -87.087458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.087458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.087458 (E_RNA)
where:
Base-Base interactions energy: -40.679
where: short stacking energy: -31.464
Base-Backbone interact. energy: -0.061
local terms energy: -46.347788
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -212.197065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.197065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.197065 (E_RNA)
where:
Base-Base interactions energy: -137.179
where: short stacking energy: -70.529
Base-Backbone interact. energy: -0.268
local terms energy: -74.750254
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -199.533565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.533565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.533565 (E_RNA)
where:
Base-Base interactions energy: -128.131
where: short stacking energy: -64.096
Base-Backbone interact. energy: -0.262
local terms energy: -71.140425
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -191.776277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.776277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.776277 (E_RNA)
where:
Base-Base interactions energy: -138.104
where: short stacking energy: -53.736
Base-Backbone interact. energy: -0.085
local terms energy: -53.587379
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -13.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -133.054255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.054255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.054255 (E_RNA)
where:
Base-Base interactions energy: -71.421
where: short stacking energy: -44.275
Base-Backbone interact. energy: -0.306
local terms energy: -61.327532
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -4.205
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: 5, replica: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -155.620184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.620184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.620184 (E_RNA)
where:
Base-Base interactions energy: -100.141
where: short stacking energy: -49.682
Base-Backbone interact. energy: -0.265
local terms energy: -55.214041
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -146.381185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.381185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.381185 (E_RNA)
where:
Base-Base interactions energy: -92.564
where: short stacking energy: -53.667
Base-Backbone interact. energy: -0.401
local terms energy: -53.415989
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -93.024269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.024269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.024269 (E_RNA)
where:
Base-Base interactions energy: -38.583
where: short stacking energy: -33.350
Base-Backbone interact. energy: -0.126
local terms energy: -54.315218
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -4.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -99.168417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.168417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.168417 (E_RNA)
where:
Base-Base interactions energy: -49.751
where: short stacking energy: -28.729
Base-Backbone interact. energy: -0.139
local terms energy: -49.278344
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -4.805
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: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -91.213820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.213820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.213820 (E_RNA)
where:
Base-Base interactions energy: -42.946
where: short stacking energy: -22.725
Base-Backbone interact. energy: -0.313
local terms energy: -47.954856
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -7.698
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -86.745828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.745828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.745828 (E_RNA)
where:
Base-Base interactions energy: -40.611
where: short stacking energy: -26.810
Base-Backbone interact. energy: -0.821
local terms energy: -45.313399
where:
bonds (distance) C4'-P energy: -7.321
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -203.775017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.775017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.775017 (E_RNA)
where:
Base-Base interactions energy: -127.756
where: short stacking energy: -61.298
Base-Backbone interact. energy: -0.248
local terms energy: -75.770412
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -201.801480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.801480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.801480 (E_RNA)
where:
Base-Base interactions energy: -132.626
where: short stacking energy: -60.613
Base-Backbone interact. energy: -0.116
local terms energy: -69.059440
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -9.029
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: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -195.909888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.909888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.909888 (E_RNA)
where:
Base-Base interactions energy: -139.504
where: short stacking energy: -64.695
Base-Backbone interact. energy: -0.194
local terms energy: -56.212289
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -12.587
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: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -162.686481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.686481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.686481 (E_RNA)
where:
Base-Base interactions energy: -105.369
where: short stacking energy: -49.330
Base-Backbone interact. energy: -0.116
local terms energy: -57.200989
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -7.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -107.466310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.466310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.466310 (E_RNA)
where:
Base-Base interactions energy: -45.606
where: short stacking energy: -41.719
Base-Backbone interact. energy: -0.117
local terms energy: -61.742569
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -167.169990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.169990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.169990 (E_RNA)
where:
Base-Base interactions energy: -107.645
where: short stacking energy: -45.177
Base-Backbone interact. energy: 0.366
local terms energy: -59.890888
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -5.268
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: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -90.033738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.033738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.033738 (E_RNA)
where:
Base-Base interactions energy: -50.095
where: short stacking energy: -22.578
Base-Backbone interact. energy: -0.379
local terms energy: -39.559578
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -8.521
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: 3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -81.138310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.138310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.138310 (E_RNA)
where:
Base-Base interactions energy: -30.729
where: short stacking energy: -29.223
Base-Backbone interact. energy: -0.724
local terms energy: -49.685172
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -89.418446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.418446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.418446 (E_RNA)
where:
Base-Base interactions energy: -38.766
where: short stacking energy: -34.620
Base-Backbone interact. energy: 1.988
local terms energy: -52.641145
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -90.398916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.398916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.398916 (E_RNA)
where:
Base-Base interactions energy: -40.337
where: short stacking energy: -37.838
Base-Backbone interact. energy: -2.003
local terms energy: -48.059235
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -7.402
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: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -206.480034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.480034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.480034 (E_RNA)
where:
Base-Base interactions energy: -137.754
where: short stacking energy: -63.903
Base-Backbone interact. energy: 0.037
local terms energy: -68.762904
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -18.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -190.687599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.687599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.687599 (E_RNA)
where:
Base-Base interactions energy: -117.522
where: short stacking energy: -53.700
Base-Backbone interact. energy: -0.100
local terms energy: -73.066343
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -12.936
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: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -191.425686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.425686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.425686 (E_RNA)
where:
Base-Base interactions energy: -135.337
where: short stacking energy: -49.455
Base-Backbone interact. energy: -0.152
local terms energy: -55.936444
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -6.453
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: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -168.370184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.370184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.370184 (E_RNA)
where:
Base-Base interactions energy: -114.742
where: short stacking energy: -43.831
Base-Backbone interact. energy: 0.984
local terms energy: -54.612280
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -179.214586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.214586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.214586 (E_RNA)
where:
Base-Base interactions energy: -116.274
where: short stacking energy: -59.446
Base-Backbone interact. energy: -0.152
local terms energy: -62.788846
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -102.738889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.738889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.738889 (E_RNA)
where:
Base-Base interactions energy: -47.440
where: short stacking energy: -35.291
Base-Backbone interact. energy: -0.192
local terms energy: -55.106842
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -104.951291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.951291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.951291 (E_RNA)
where:
Base-Base interactions energy: -48.332
where: short stacking energy: -36.776
Base-Backbone interact. energy: -0.141
local terms energy: -56.478088
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -7.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -83.860312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.860312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.860312 (E_RNA)
where:
Base-Base interactions energy: -37.389
where: short stacking energy: -32.940
Base-Backbone interact. energy: -0.314
local terms energy: -46.156846
where:
bonds (distance) C4'-P energy: -5.700
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -94.123507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.123507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.123507 (E_RNA)
where:
Base-Base interactions energy: -34.068
where: short stacking energy: -34.068
Base-Backbone interact. energy: -0.225
local terms energy: -59.830993
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -84.457877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.457877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.457877 (E_RNA)
where:
Base-Base interactions energy: -23.927
where: short stacking energy: -20.451
Base-Backbone interact. energy: -0.408
local terms energy: -60.123028
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -203.869887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.869887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.869887 (E_RNA)
where:
Base-Base interactions energy: -144.550
where: short stacking energy: -63.768
Base-Backbone interact. energy: -0.003
local terms energy: -59.316699
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -188.372077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.372077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.372077 (E_RNA)
where:
Base-Base interactions energy: -116.757
where: short stacking energy: -56.271
Base-Backbone interact. energy: -0.085
local terms energy: -71.529856
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -14.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -185.521827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.521827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.521827 (E_RNA)
where:
Base-Base interactions energy: -126.227
where: short stacking energy: -51.544
Base-Backbone interact. energy: -0.108
local terms energy: -59.186837
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -6.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -170.919606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.919606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.919606 (E_RNA)
where:
Base-Base interactions energy: -100.784
where: short stacking energy: -50.711
Base-Backbone interact. energy: 0.021
local terms energy: -70.156723
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -12.808
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: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -185.169379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.169379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.169379 (E_RNA)
where:
Base-Base interactions energy: -124.483
where: short stacking energy: -47.389
Base-Backbone interact. energy: -0.786
local terms energy: -59.900462
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -8.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -96.191034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.191034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.191034 (E_RNA)
where:
Base-Base interactions energy: -48.687
where: short stacking energy: -37.390
Base-Backbone interact. energy: -1.818
local terms energy: -45.686002
where:
bonds (distance) C4'-P energy: -7.118
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -4.332
tors. eta vs tors. theta energy: -8.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -109.106399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.106399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.106399 (E_RNA)
where:
Base-Base interactions energy: -49.416
where: short stacking energy: -40.259
Base-Backbone interact. energy: 0.061
local terms energy: -59.750599
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -92.702514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.702514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.702514 (E_RNA)
where:
Base-Base interactions energy: -35.630
where: short stacking energy: -32.683
Base-Backbone interact. energy: -0.157
local terms energy: -56.914910
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -88.425693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.425693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.425693 (E_RNA)
where:
Base-Base interactions energy: -39.430
where: short stacking energy: -28.931
Base-Backbone interact. energy: -0.685
local terms energy: -48.311167
where:
bonds (distance) C4'-P energy: -7.214
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -5.794
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: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -82.959397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.959397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.959397 (E_RNA)
where:
Base-Base interactions energy: -34.916
where: short stacking energy: -25.898
Base-Backbone interact. energy: -0.304
local terms energy: -47.740069
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: 2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -209.608047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.608047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.608047 (E_RNA)
where:
Base-Base interactions energy: -130.208
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.983
local terms energy: -78.416701
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -16.009
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: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -178.885936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.885936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.885936 (E_RNA)
where:
Base-Base interactions energy: -112.304
where: short stacking energy: -51.897
Base-Backbone interact. energy: -0.325
local terms energy: -66.257054
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -10.516
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: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -192.596361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.596361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.596361 (E_RNA)
where:
Base-Base interactions energy: -125.173
where: short stacking energy: -53.091
Base-Backbone interact. energy: -0.121
local terms energy: -67.302801
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -175.831231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.831231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.831231 (E_RNA)
where:
Base-Base interactions energy: -103.957
where: short stacking energy: -60.631
Base-Backbone interact. energy: -0.253
local terms energy: -71.620585
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -12.319
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: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -184.038070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.038070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.038070 (E_RNA)
where:
Base-Base interactions energy: -123.764
where: short stacking energy: -50.542
Base-Backbone interact. energy: -0.026
local terms energy: -60.248938
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -10.911
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: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -89.489214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.489214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.489214 (E_RNA)
where:
Base-Base interactions energy: -43.345
where: short stacking energy: -25.032
Base-Backbone interact. energy: -0.004
local terms energy: -46.140200
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -7.944
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -90.742877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.742877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.742877 (E_RNA)
where:
Base-Base interactions energy: -35.029
where: short stacking energy: -26.271
Base-Backbone interact. energy: -0.476
local terms energy: -55.238656
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -87.840451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.840451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.840451 (E_RNA)
where:
Base-Base interactions energy: -29.760
where: short stacking energy: -27.375
Base-Backbone interact. energy: -0.510
local terms energy: -57.570306
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -72.695298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.695298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.695298 (E_RNA)
where:
Base-Base interactions energy: -26.821
where: short stacking energy: -18.593
Base-Backbone interact. energy: -1.258
local terms energy: -44.616321
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -2.930
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -94.184809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.184809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.184809 (E_RNA)
where:
Base-Base interactions energy: -44.068
where: short stacking energy: -20.670
Base-Backbone interact. energy: 1.047
local terms energy: -51.163377
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -10.364
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: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -209.187118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.187118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.187118 (E_RNA)
where:
Base-Base interactions energy: -135.676
where: short stacking energy: -64.698
Base-Backbone interact. energy: -0.244
local terms energy: -73.267591
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -17.907
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: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -203.567687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.567687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.567687 (E_RNA)
where:
Base-Base interactions energy: -131.678
where: short stacking energy: -59.698
Base-Backbone interact. energy: -0.619
local terms energy: -71.269837
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -175.441557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.441557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.441557 (E_RNA)
where:
Base-Base interactions energy: -118.767
where: short stacking energy: -47.080
Base-Backbone interact. energy: -0.827
local terms energy: -55.847027
where:
bonds (distance) C4'-P energy: -8.134
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -179.307586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.307586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.307586 (E_RNA)
where:
Base-Base interactions energy: -116.164
where: short stacking energy: -50.643
Base-Backbone interact. energy: -1.117
local terms energy: -62.026838
where:
bonds (distance) C4'-P energy: -8.547
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -10.335
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: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -185.124312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.124312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.124312 (E_RNA)
where:
Base-Base interactions energy: -112.071
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.000
local terms energy: -73.053107
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -104.499870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.499870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.499870 (E_RNA)
where:
Base-Base interactions energy: -52.772
where: short stacking energy: -32.256
Base-Backbone interact. energy: -0.113
local terms energy: -51.615186
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -91.902021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.902021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.902021 (E_RNA)
where:
Base-Base interactions energy: -41.436
where: short stacking energy: -31.805
Base-Backbone interact. energy: -0.190
local terms energy: -50.275971
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -5.726
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: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -86.392066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.392066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.392066 (E_RNA)
where:
Base-Base interactions energy: -34.494
where: short stacking energy: -29.752
Base-Backbone interact. energy: -0.101
local terms energy: -51.796978
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -82.789951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.789951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.789951 (E_RNA)
where:
Base-Base interactions energy: -36.844
where: short stacking energy: -29.244
Base-Backbone interact. energy: -0.242
local terms energy: -45.703471
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -85.991016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.991016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.991016 (E_RNA)
where:
Base-Base interactions energy: -35.785
where: short stacking energy: -27.142
Base-Backbone interact. energy: -0.467
local terms energy: -49.739013
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -202.365371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.365371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.365371 (E_RNA)
where:
Base-Base interactions energy: -135.115
where: short stacking energy: -55.903
Base-Backbone interact. energy: -0.247
local terms energy: -67.003578
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -11.065
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -195.272544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.272544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.272544 (E_RNA)
where:
Base-Base interactions energy: -128.493
where: short stacking energy: -59.692
Base-Backbone interact. energy: 0.613
local terms energy: -67.392485
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -10.240
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -202.375513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.375513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.375513 (E_RNA)
where:
Base-Base interactions energy: -130.592
where: short stacking energy: -61.622
Base-Backbone interact. energy: -0.207
local terms energy: -71.576498
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -10.236
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: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -187.907796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.907796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.907796 (E_RNA)
where:
Base-Base interactions energy: -127.070
where: short stacking energy: -51.068
Base-Backbone interact. energy: -0.071
local terms energy: -60.766272
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -12.054
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: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -163.943868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.943868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.943868 (E_RNA)
where:
Base-Base interactions energy: -102.799
where: short stacking energy: -59.150
Base-Backbone interact. energy: -0.076
local terms energy: -61.068974
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -13.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -96.767646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.767646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.767646 (E_RNA)
where:
Base-Base interactions energy: -34.279
where: short stacking energy: -34.279
Base-Backbone interact. energy: -0.176
local terms energy: -62.312877
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -6.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -90.409475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.409475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.409475 (E_RNA)
where:
Base-Base interactions energy: -30.860
where: short stacking energy: -27.903
Base-Backbone interact. energy: 0.430
local terms energy: -59.979655
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -86.212945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.212945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.212945 (E_RNA)
where:
Base-Base interactions energy: -33.811
where: short stacking energy: -30.571
Base-Backbone interact. energy: -0.090
local terms energy: -52.311939
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -7.092
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -91.055255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.055255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.055255 (E_RNA)
where:
Base-Base interactions energy: -31.481
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.123
local terms energy: -59.451371
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -78.585876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.585876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.585876 (E_RNA)
where:
Base-Base interactions energy: -26.978
where: short stacking energy: -26.510
Base-Backbone interact. energy: -0.064
local terms energy: -51.544409
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -200.212979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.212979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.212979 (E_RNA)
where:
Base-Base interactions energy: -130.060
where: short stacking energy: -58.882
Base-Backbone interact. energy: -0.123
local terms energy: -70.029742
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -17.122
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: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -185.501386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.501386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.501386 (E_RNA)
where:
Base-Base interactions energy: -118.628
where: short stacking energy: -59.253
Base-Backbone interact. energy: -0.172
local terms energy: -66.701901
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -192.171556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.171556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.171556 (E_RNA)
where:
Base-Base interactions energy: -125.099
where: short stacking energy: -57.106
Base-Backbone interact. energy: -0.323
local terms energy: -66.749471
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -12.544
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: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -188.424406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.424406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.424406 (E_RNA)
where:
Base-Base interactions energy: -124.986
where: short stacking energy: -57.341
Base-Backbone interact. energy: -0.245
local terms energy: -63.193183
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -10.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -165.687912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.687912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.687912 (E_RNA)
where:
Base-Base interactions energy: -104.823
where: short stacking energy: -47.958
Base-Backbone interact. energy: -0.374
local terms energy: -60.490732
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -8.641
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: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -99.267496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.267496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.267496 (E_RNA)
where:
Base-Base interactions energy: -42.099
where: short stacking energy: -42.099
Base-Backbone interact. energy: 0.235
local terms energy: -57.402982
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -3.861
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: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -107.253727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.253727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.253727 (E_RNA)
where:
Base-Base interactions energy: -46.859
where: short stacking energy: -45.092
Base-Backbone interact. energy: -0.009
local terms energy: -60.385037
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -88.329294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.329294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.329294 (E_RNA)
where:
Base-Base interactions energy: -36.387
where: short stacking energy: -28.251
Base-Backbone interact. energy: -0.103
local terms energy: -51.840075
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -8.566
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: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -78.668509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.668509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.668509 (E_RNA)
where:
Base-Base interactions energy: -41.787
where: short stacking energy: -11.274
Base-Backbone interact. energy: -0.418
local terms energy: -36.463179
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -8.078
flat angles P-C4'-P energy: -1.950
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -77.782913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.782913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.782913 (E_RNA)
where:
Base-Base interactions energy: -28.364
where: short stacking energy: -28.364
Base-Backbone interact. energy: -0.036
local terms energy: -49.382840
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -7.174
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -212.969026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.969026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.969026 (E_RNA)
where:
Base-Base interactions energy: -149.682
where: short stacking energy: -63.114
Base-Backbone interact. energy: -0.509
local terms energy: -62.778131
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -13.720
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: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -204.251412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.251412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.251412 (E_RNA)
where:
Base-Base interactions energy: -135.079
where: short stacking energy: -61.968
Base-Backbone interact. energy: 0.375
local terms energy: -69.547296
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -15.477
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: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -195.021774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.021774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.021774 (E_RNA)
where:
Base-Base interactions energy: -132.227
where: short stacking energy: -51.754
Base-Backbone interact. energy: 0.338
local terms energy: -63.132546
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -13.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -181.576012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.576012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.576012 (E_RNA)
where:
Base-Base interactions energy: -111.755
where: short stacking energy: -58.210
Base-Backbone interact. energy: -0.053
local terms energy: -69.767572
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -16.084
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: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -172.803536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.803536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.803536 (E_RNA)
where:
Base-Base interactions energy: -101.903
where: short stacking energy: -54.805
Base-Backbone interact. energy: -0.293
local terms energy: -70.606960
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -104.209530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.209530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.209530 (E_RNA)
where:
Base-Base interactions energy: -50.624
where: short stacking energy: -29.908
Base-Backbone interact. energy: -0.218
local terms energy: -53.368446
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -7.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -95.465730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.465730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.465730 (E_RNA)
where:
Base-Base interactions energy: -32.812
where: short stacking energy: -30.624
Base-Backbone interact. energy: 0.055
local terms energy: -62.709486
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -83.771613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.771613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.771613 (E_RNA)
where:
Base-Base interactions energy: -33.662
where: short stacking energy: -31.033
Base-Backbone interact. energy: -0.099
local terms energy: -50.011009
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -91.336654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.336654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.336654 (E_RNA)
where:
Base-Base interactions energy: -43.284
where: short stacking energy: -41.319
Base-Backbone interact. energy: -0.136
local terms energy: -47.916133
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -7.669
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -7.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -88.452052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.452052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.452052 (E_RNA)
where:
Base-Base interactions energy: -34.593
where: short stacking energy: -34.593
Base-Backbone interact. energy: -0.015
local terms energy: -53.843398
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -203.340934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.340934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.340934 (E_RNA)
where:
Base-Base interactions energy: -131.211
where: short stacking energy: -60.746
Base-Backbone interact. energy: -0.350
local terms energy: -71.779480
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -13.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -200.436363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.436363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.436363 (E_RNA)
where:
Base-Base interactions energy: -130.549
where: short stacking energy: -66.329
Base-Backbone interact. energy: -0.152
local terms energy: -69.734813
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -197.066093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.066093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.066093 (E_RNA)
where:
Base-Base interactions energy: -122.966
where: short stacking energy: -60.250
Base-Backbone interact. energy: 0.870
local terms energy: -74.969374
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -16.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -179.426376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.426376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.426376 (E_RNA)
where:
Base-Base interactions energy: -118.274
where: short stacking energy: -53.970
Base-Backbone interact. energy: -0.397
local terms energy: -60.754926
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -12.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -178.260875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.260875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.260875 (E_RNA)
where:
Base-Base interactions energy: -108.792
where: short stacking energy: -46.571
Base-Backbone interact. energy: -0.109
local terms energy: -69.360597
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -10.641
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: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -105.232537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.232537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.232537 (E_RNA)
where:
Base-Base interactions energy: -49.786
where: short stacking energy: -47.472
Base-Backbone interact. energy: -0.071
local terms energy: -55.376243
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -96.352754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.352754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.352754 (E_RNA)
where:
Base-Base interactions energy: -47.493
where: short stacking energy: -30.146
Base-Backbone interact. energy: -0.236
local terms energy: -48.623446
where:
bonds (distance) C4'-P energy: -7.606
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -84.851163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.851163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.851163 (E_RNA)
where:
Base-Base interactions energy: -39.038
where: short stacking energy: -30.043
Base-Backbone interact. energy: -1.274
local terms energy: -44.539238
where:
bonds (distance) C4'-P energy: -6.733
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -85.529121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.529121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.529121 (E_RNA)
where:
Base-Base interactions energy: -31.196
where: short stacking energy: -31.196
Base-Backbone interact. energy: -0.003
local terms energy: -54.330206
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -77.246583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.246583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.246583 (E_RNA)
where:
Base-Base interactions energy: -36.121
where: short stacking energy: -23.487
Base-Backbone interact. energy: -1.454
local terms energy: -39.671411
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: 6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -207.528797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.528797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.528797 (E_RNA)
where:
Base-Base interactions energy: -135.408
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.084
local terms energy: -72.037202
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -206.389976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.389976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.389976 (E_RNA)
where:
Base-Base interactions energy: -136.014
where: short stacking energy: -58.767
Base-Backbone interact. energy: 1.045
local terms energy: -71.420903
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -16.252
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: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -197.985600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.985600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.985600 (E_RNA)
where:
Base-Base interactions energy: -131.248
where: short stacking energy: -53.646
Base-Backbone interact. energy: -1.472
local terms energy: -65.265744
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -165.585767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.585767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.585767 (E_RNA)
where:
Base-Base interactions energy: -103.113
where: short stacking energy: -42.509
Base-Backbone interact. energy: -2.014
local terms energy: -60.458824
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -171.481379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.481379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.481379 (E_RNA)
where:
Base-Base interactions energy: -104.476
where: short stacking energy: -62.349
Base-Backbone interact. energy: -0.154
local terms energy: -66.851129
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -16.971
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: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -103.311375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.311375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.311375 (E_RNA)
where:
Base-Base interactions energy: -44.397
where: short stacking energy: -44.390
Base-Backbone interact. energy: -0.007
local terms energy: -58.908229
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -105.799534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.799534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.799534 (E_RNA)
where:
Base-Base interactions energy: -55.977
where: short stacking energy: -30.903
Base-Backbone interact. energy: 0.706
local terms energy: -50.529132
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -92.868907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.868907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.868907 (E_RNA)
where:
Base-Base interactions energy: -41.229
where: short stacking energy: -26.135
Base-Backbone interact. energy: -0.178
local terms energy: -51.462095
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: 2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -86.809416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.809416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.809416 (E_RNA)
where:
Base-Base interactions energy: -32.306
where: short stacking energy: -22.656
Base-Backbone interact. energy: -0.194
local terms energy: -54.309435
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -72.851993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.851993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.851993 (E_RNA)
where:
Base-Base interactions energy: -19.861
where: short stacking energy: -19.861
Base-Backbone interact. energy: -0.057
local terms energy: -52.933550
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -200.360457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.360457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.360457 (E_RNA)
where:
Base-Base interactions energy: -127.707
where: short stacking energy: -62.177
Base-Backbone interact. energy: -0.003
local terms energy: -72.650140
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -8.891
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: 2, replica: 6
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -203.794101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.794101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.794101 (E_RNA)
where:
Base-Base interactions energy: -135.932
where: short stacking energy: -54.340
Base-Backbone interact. energy: -0.115
local terms energy: -67.746733
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -13.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -189.502369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.502369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.502369 (E_RNA)
where:
Base-Base interactions energy: -119.613
where: short stacking energy: -64.882
Base-Backbone interact. energy: -0.001
local terms energy: -69.888167
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -10.753
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: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -182.280543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.280543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.280543 (E_RNA)
where:
Base-Base interactions energy: -104.476
where: short stacking energy: -63.251
Base-Backbone interact. energy: -0.076
local terms energy: -77.728505
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -8.561
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: 5, replica: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -170.419173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.419173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.419173 (E_RNA)
where:
Base-Base interactions energy: -97.885
where: short stacking energy: -52.497
Base-Backbone interact. energy: -0.051
local terms energy: -72.483741
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -14.896
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: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -106.520371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.520371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.520371 (E_RNA)
where:
Base-Base interactions energy: -42.954
where: short stacking energy: -36.412
Base-Backbone interact. energy: -0.088
local terms energy: -63.478439
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -9.015
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: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -88.970442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.970442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.970442 (E_RNA)
where:
Base-Base interactions energy: -36.546
where: short stacking energy: -36.267
Base-Backbone interact. energy: -0.026
local terms energy: -52.398264
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -83.867596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.867596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.867596 (E_RNA)
where:
Base-Base interactions energy: -32.174
where: short stacking energy: -32.174
Base-Backbone interact. energy: -0.232
local terms energy: -51.461939
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -85.626356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.626356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.626356 (E_RNA)
where:
Base-Base interactions energy: -32.878
where: short stacking energy: -24.640
Base-Backbone interact. energy: 0.261
local terms energy: -53.008884
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -69.342807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.342807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.342807 (E_RNA)
where:
Base-Base interactions energy: -24.738
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.117
local terms energy: -44.488085
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -6.662
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -201.211370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.211370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.211370 (E_RNA)
where:
Base-Base interactions energy: -127.841
where: short stacking energy: -56.399
Base-Backbone interact. energy: 1.687
local terms energy: -75.057891
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -195.072781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.072781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.072781 (E_RNA)
where:
Base-Base interactions energy: -129.357
where: short stacking energy: -54.372
Base-Backbone interact. energy: -0.199
local terms energy: -65.517394
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -181.887228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.887228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.887228 (E_RNA)
where:
Base-Base interactions energy: -116.081
where: short stacking energy: -53.220
Base-Backbone interact. energy: -0.246
local terms energy: -65.560519
where:
bonds (distance) C4'-P energy: -9.145
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -15.379
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: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -179.411503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.411503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.411503 (E_RNA)
where:
Base-Base interactions energy: -113.982
where: short stacking energy: -61.090
Base-Backbone interact. energy: 0.398
local terms energy: -65.827531
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -10.669
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: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -172.196684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.196684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.196684 (E_RNA)
where:
Base-Base interactions energy: -107.275
where: short stacking energy: -44.447
Base-Backbone interact. energy: -0.977
local terms energy: -63.944525
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -99.672125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.672125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.672125 (E_RNA)
where:
Base-Base interactions energy: -52.581
where: short stacking energy: -37.396
Base-Backbone interact. energy: -0.046
local terms energy: -47.044833
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -89.927428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.927428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.927428 (E_RNA)
where:
Base-Base interactions energy: -36.323
where: short stacking energy: -36.323
Base-Backbone interact. energy: -0.160
local terms energy: -53.444771
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -86.325297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.325297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.325297 (E_RNA)
where:
Base-Base interactions energy: -33.648
where: short stacking energy: -29.539
Base-Backbone interact. energy: -0.235
local terms energy: -52.442290
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -3.726
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: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -86.700709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.700709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.700709 (E_RNA)
where:
Base-Base interactions energy: -38.250
where: short stacking energy: -38.250
Base-Backbone interact. energy: -0.403
local terms energy: -48.048507
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -94.690982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.690982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.690982 (E_RNA)
where:
Base-Base interactions energy: -37.264
where: short stacking energy: -30.891
Base-Backbone interact. energy: 0.072
local terms energy: -57.498772
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -4.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -197.480143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.480143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.480143 (E_RNA)
where:
Base-Base interactions energy: -130.821
where: short stacking energy: -51.826
Base-Backbone interact. energy: -0.336
local terms energy: -66.322621
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -198.829654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.829654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.829654 (E_RNA)
where:
Base-Base interactions energy: -128.151
where: short stacking energy: -65.549
Base-Backbone interact. energy: 0.105
local terms energy: -70.784483
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -202.564959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.564959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.564959 (E_RNA)
where:
Base-Base interactions energy: -132.187
where: short stacking energy: -56.932
Base-Backbone interact. energy: -0.075
local terms energy: -70.303186
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -178.886457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.886457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.886457 (E_RNA)
where:
Base-Base interactions energy: -111.699
where: short stacking energy: -54.313
Base-Backbone interact. energy: -0.247
local terms energy: -66.940847
where:
bonds (distance) C4'-P energy: -9.036
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.320
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: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -159.101886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.101886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.101886 (E_RNA)
where:
Base-Base interactions energy: -106.223
where: short stacking energy: -45.488
Base-Backbone interact. energy: -0.066
local terms energy: -52.813350
where:
bonds (distance) C4'-P energy: -8.057
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -10.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -91.868974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.868974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.868974 (E_RNA)
where:
Base-Base interactions energy: -44.744
where: short stacking energy: -42.877
Base-Backbone interact. energy: -0.044
local terms energy: -47.080544
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -3.768
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -93.532838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.532838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.532838 (E_RNA)
where:
Base-Base interactions energy: -34.313
where: short stacking energy: -33.252
Base-Backbone interact. energy: -0.156
local terms energy: -59.064079
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -83.219213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.219213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.219213 (E_RNA)
where:
Base-Base interactions energy: -31.278
where: short stacking energy: -26.697
Base-Backbone interact. energy: 0.494
local terms energy: -52.435865
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -92.968379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.968379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.968379 (E_RNA)
where:
Base-Base interactions energy: -43.952
where: short stacking energy: -33.433
Base-Backbone interact. energy: -0.519
local terms energy: -48.496774
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -88.883143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.883143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.883143 (E_RNA)
where:
Base-Base interactions energy: -46.077
where: short stacking energy: -44.010
Base-Backbone interact. energy: 0.222
local terms energy: -43.027786
where:
bonds (distance) C4'-P energy: -1.678
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -208.002801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.002801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.002801 (E_RNA)
where:
Base-Base interactions energy: -133.118
where: short stacking energy: -69.410
Base-Backbone interact. energy: -1.888
local terms energy: -72.996586
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -10.599
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: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -198.902100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.902100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.902100 (E_RNA)
where:
Base-Base interactions energy: -130.413
where: short stacking energy: -45.514
Base-Backbone interact. energy: 0.889
local terms energy: -69.378289
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -179.555657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.555657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.555657 (E_RNA)
where:
Base-Base interactions energy: -115.594
where: short stacking energy: -54.671
Base-Backbone interact. energy: -0.799
local terms energy: -63.162472
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -8.912
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: 4, replica: 9
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -193.310602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.310602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.310602 (E_RNA)
where:
Base-Base interactions energy: -126.245
where: short stacking energy: -52.247
Base-Backbone interact. energy: -0.086
local terms energy: -66.979853
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -106.562101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.562101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.562101 (E_RNA)
where:
Base-Base interactions energy: -51.746
where: short stacking energy: -36.793
Base-Backbone interact. energy: -0.616
local terms energy: -54.200178
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -1.514
tors. eta vs tors. theta energy: -8.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -164.592499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.592499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.592499 (E_RNA)
where:
Base-Base interactions energy: -88.628
where: short stacking energy: -47.119
Base-Backbone interact. energy: -0.325
local terms energy: -75.639594
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -15.708
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: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -89.107220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.107220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.107220 (E_RNA)
where:
Base-Base interactions energy: -38.922
where: short stacking energy: -37.281
Base-Backbone interact. energy: -0.173
local terms energy: -50.011318
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -8.419
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -88.855964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.855964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.855964 (E_RNA)
where:
Base-Base interactions energy: -34.243
where: short stacking energy: -31.288
Base-Backbone interact. energy: -0.304
local terms energy: -54.308619
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -94.335477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.335477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.335477 (E_RNA)
where:
Base-Base interactions energy: -53.472
where: short stacking energy: -32.826
Base-Backbone interact. energy: -0.068
local terms energy: -40.795429
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -6.972
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -4.930
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: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -80.057135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.057135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.057135 (E_RNA)
where:
Base-Base interactions energy: -27.234
where: short stacking energy: -24.714
Base-Backbone interact. energy: -0.063
local terms energy: -52.760105
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -219.161326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.161326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.161326 (E_RNA)
where:
Base-Base interactions energy: -150.122
where: short stacking energy: -60.937
Base-Backbone interact. energy: -0.482
local terms energy: -68.556573
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -203.276438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.276438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.276438 (E_RNA)
where:
Base-Base interactions energy: -139.439
where: short stacking energy: -71.118
Base-Backbone interact. energy: -0.680
local terms energy: -63.157221
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -3.168
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -191.891906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.891906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.891906 (E_RNA)
where:
Base-Base interactions energy: -116.864
where: short stacking energy: -61.976
Base-Backbone interact. energy: -0.088
local terms energy: -74.940389
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -18.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -190.839903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.839903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.839903 (E_RNA)
where:
Base-Base interactions energy: -128.632
where: short stacking energy: -55.954
Base-Backbone interact. energy: -0.262
local terms energy: -61.945887
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -117.587790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.587790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.587790 (E_RNA)
where:
Base-Base interactions energy: -52.745
where: short stacking energy: -52.745
Base-Backbone interact. energy: -0.048
local terms energy: -64.795053
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -150.509896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.509896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.509896 (E_RNA)
where:
Base-Base interactions energy: -87.299
where: short stacking energy: -40.774
Base-Backbone interact. energy: -1.161
local terms energy: -62.049679
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -7.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -95.184149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.184149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.184149 (E_RNA)
where:
Base-Base interactions energy: -40.606
where: short stacking energy: -31.275
Base-Backbone interact. energy: -1.086
local terms energy: -53.492482
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -103.517865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.517865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.517865 (E_RNA)
where:
Base-Base interactions energy: -57.639
where: short stacking energy: -29.639
Base-Backbone interact. energy: 0.563
local terms energy: -46.441573
where:
bonds (distance) C4'-P energy: -7.060
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -90.546845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.546845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.546845 (E_RNA)
where:
Base-Base interactions energy: -45.351
where: short stacking energy: -33.758
Base-Backbone interact. energy: -0.544
local terms energy: -44.651624
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: 0.696
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: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -82.050788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.050788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.050788 (E_RNA)
where:
Base-Base interactions energy: -29.073
where: short stacking energy: -24.701
Base-Backbone interact. energy: -0.075
local terms energy: -52.902362
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -212.542396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.542396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.542396 (E_RNA)
where:
Base-Base interactions energy: -142.914
where: short stacking energy: -64.151
Base-Backbone interact. energy: -0.114
local terms energy: -69.513463
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -206.056339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.056339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.056339 (E_RNA)
where:
Base-Base interactions energy: -137.041
where: short stacking energy: -59.614
Base-Backbone interact. energy: 0.142
local terms energy: -69.157276
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -11.819
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: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -177.576521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.576521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.576521 (E_RNA)
where:
Base-Base interactions energy: -107.429
where: short stacking energy: -53.005
Base-Backbone interact. energy: -0.582
local terms energy: -69.565168
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -167.381564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.381564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.381564 (E_RNA)
where:
Base-Base interactions energy: -106.324
where: short stacking energy: -47.113
Base-Backbone interact. energy: -0.531
local terms energy: -60.527307
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -8.639
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -13.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -178.040382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.040382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.040382 (E_RNA)
where:
Base-Base interactions energy: -113.877
where: short stacking energy: -37.157
Base-Backbone interact. energy: -0.603
local terms energy: -63.559951
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -94.241441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.241441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.241441 (E_RNA)
where:
Base-Base interactions energy: -42.229
where: short stacking energy: -26.685
Base-Backbone interact. energy: -0.210
local terms energy: -51.802442
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -84.844803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.844803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.844803 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -31.370
Base-Backbone interact. energy: 0.206
local terms energy: -53.536938
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -7.023
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: 8, replica: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -81.086121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.086121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.086121 (E_RNA)
where:
Base-Base interactions energy: -35.560
where: short stacking energy: -24.656
Base-Backbone interact. energy: 0.286
local terms energy: -45.812549
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: 1.583
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: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -86.239583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.239583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.239583 (E_RNA)
where:
Base-Base interactions energy: -32.131
where: short stacking energy: -29.565
Base-Backbone interact. energy: -0.132
local terms energy: -53.976592
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -83.325590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.325590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.325590 (E_RNA)
where:
Base-Base interactions energy: -31.907
where: short stacking energy: -22.519
Base-Backbone interact. energy: -0.125
local terms energy: -51.293587
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -208.296357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.296357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.296357 (E_RNA)
where:
Base-Base interactions energy: -128.931
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.034
local terms energy: -79.331874
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -191.236001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.236001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.236001 (E_RNA)
where:
Base-Base interactions energy: -123.571
where: short stacking energy: -53.049
Base-Backbone interact. energy: -0.196
local terms energy: -67.469233
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -17.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -186.768259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.768259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.768259 (E_RNA)
where:
Base-Base interactions energy: -119.376
where: short stacking energy: -61.759
Base-Backbone interact. energy: -0.073
local terms energy: -67.319617
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -13.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -182.684986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.684986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.684986 (E_RNA)
where:
Base-Base interactions energy: -114.471
where: short stacking energy: -50.384
Base-Backbone interact. energy: -0.642
local terms energy: -67.572706
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -7.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -163.232930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.232930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.232930 (E_RNA)
where:
Base-Base interactions energy: -96.977
where: short stacking energy: -53.846
Base-Backbone interact. energy: -0.013
local terms energy: -66.242121
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -116.421181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.421181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.421181 (E_RNA)
where:
Base-Base interactions energy: -52.849
where: short stacking energy: -52.811
Base-Backbone interact. energy: -0.025
local terms energy: -63.547834
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -7.734
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: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -101.048480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.048480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.048480 (E_RNA)
where:
Base-Base interactions energy: -47.080
where: short stacking energy: -40.522
Base-Backbone interact. energy: -0.333
local terms energy: -53.635405
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -96.539209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.539209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.539209 (E_RNA)
where:
Base-Base interactions energy: -53.338
where: short stacking energy: -41.038
Base-Backbone interact. energy: 2.993
local terms energy: -46.194130
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -3.969
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: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -84.170637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.170637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.170637 (E_RNA)
where:
Base-Base interactions energy: -40.668
where: short stacking energy: -30.799
Base-Backbone interact. energy: 1.258
local terms energy: -44.760628
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: 1.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -86.242506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.242506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.242506 (E_RNA)
where:
Base-Base interactions energy: -32.374
where: short stacking energy: -31.179
Base-Backbone interact. energy: -0.182
local terms energy: -53.686312
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -8.683
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -4.875
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: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -196.643376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.643376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.643376 (E_RNA)
where:
Base-Base interactions energy: -127.837
where: short stacking energy: -61.515
Base-Backbone interact. energy: -0.020
local terms energy: -68.786302
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -11.355
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: 2, replica: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -198.661495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.661495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.661495 (E_RNA)
where:
Base-Base interactions energy: -131.496
where: short stacking energy: -63.296
Base-Backbone interact. energy: -0.046
local terms energy: -67.118950
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -9.156
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: 3, replica: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -173.345357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.345357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.345357 (E_RNA)
where:
Base-Base interactions energy: -111.733
where: short stacking energy: -59.670
Base-Backbone interact. energy: -0.208
local terms energy: -61.404428
where:
bonds (distance) C4'-P energy: -5.422
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -169.609576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.609576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.609576 (E_RNA)
where:
Base-Base interactions energy: -103.891
where: short stacking energy: -52.119
Base-Backbone interact. energy: -0.042
local terms energy: -65.676395
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -152.901622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.901622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.901622 (E_RNA)
where:
Base-Base interactions energy: -92.866
where: short stacking energy: -47.139
Base-Backbone interact. energy: -0.266
local terms energy: -59.770163
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -8.782
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -9.518
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: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -98.983890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.983890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.983890 (E_RNA)
where:
Base-Base interactions energy: -54.702
where: short stacking energy: -33.635
Base-Backbone interact. energy: -0.456
local terms energy: -43.825909
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -99.690354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.690354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.690354 (E_RNA)
where:
Base-Base interactions energy: -47.038
where: short stacking energy: -36.697
Base-Backbone interact. energy: -0.138
local terms energy: -52.514764
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -91.094317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.094317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.094317 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -22.018
Base-Backbone interact. energy: -0.478
local terms energy: -52.318109
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: 0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -79.046768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.046768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.046768 (E_RNA)
where:
Base-Base interactions energy: -28.678
where: short stacking energy: -28.678
Base-Backbone interact. energy: 0.672
local terms energy: -51.040738
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -86.325533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.325533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.325533 (E_RNA)
where:
Base-Base interactions energy: -40.197
where: short stacking energy: -34.077
Base-Backbone interact. energy: -0.475
local terms energy: -45.653695
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -209.980029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.980029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.980029 (E_RNA)
where:
Base-Base interactions energy: -141.803
where: short stacking energy: -57.617
Base-Backbone interact. energy: 0.385
local terms energy: -68.561669
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -12.844
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: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -214.771492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.771492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.771492 (E_RNA)
where:
Base-Base interactions energy: -148.669
where: short stacking energy: -66.499
Base-Backbone interact. energy: -0.091
local terms energy: -66.011938
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -14.355
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: 345
Temperature: 1.000000
Total energy: -178.808556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.808556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.808556 (E_RNA)
where:
Base-Base interactions energy: -116.430
where: short stacking energy: -60.073
Base-Backbone interact. energy: -0.285
local terms energy: -62.094092
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -12.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -175.082474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.082474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.082474 (E_RNA)
where:
Base-Base interactions energy: -112.423
where: short stacking energy: -42.249
Base-Backbone interact. energy: -0.638
local terms energy: -62.021421
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -169.180805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.180805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.180805 (E_RNA)
where:
Base-Base interactions energy: -96.174
where: short stacking energy: -62.129
Base-Backbone interact. energy: -0.040
local terms energy: -72.967026
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -11.146
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: 345
Temperature: 1.150000
Total energy: -90.691060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.691060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.691060 (E_RNA)
where:
Base-Base interactions energy: -39.373
where: short stacking energy: -39.373
Base-Backbone interact. energy: -0.229
local terms energy: -51.088641
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -98.334774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.334774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.334774 (E_RNA)
where:
Base-Base interactions energy: -42.773
where: short stacking energy: -39.047
Base-Backbone interact. energy: -0.164
local terms energy: -55.398504
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -88.235507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.235507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.235507 (E_RNA)
where:
Base-Base interactions energy: -31.576
where: short stacking energy: -31.576
Base-Backbone interact. energy: -0.057
local terms energy: -56.603159
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -10.129
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: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -79.407101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.407101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.407101 (E_RNA)
where:
Base-Base interactions energy: -25.638
where: short stacking energy: -25.541
Base-Backbone interact. energy: -0.217
local terms energy: -53.551520
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -74.980999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.980999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.980999 (E_RNA)
where:
Base-Base interactions energy: -24.510
where: short stacking energy: -24.510
Base-Backbone interact. energy: -0.101
local terms energy: -50.369740
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -201.567349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.567349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.567349 (E_RNA)
where:
Base-Base interactions energy: -135.008
where: short stacking energy: -58.568
Base-Backbone interact. energy: -0.021
local terms energy: -66.539002
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -12.157
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: 2, replica: 6
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -200.832587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.832587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.832587 (E_RNA)
where:
Base-Base interactions energy: -135.531
where: short stacking energy: -58.547
Base-Backbone interact. energy: -0.117
local terms energy: -65.184717
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -173.835794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.835794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.835794 (E_RNA)
where:
Base-Base interactions energy: -107.710
where: short stacking energy: -58.777
Base-Backbone interact. energy: -0.000
local terms energy: -66.125444
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -11.548
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: 346
Temperature: 1.050000
Total energy: -167.521359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.521359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.521359 (E_RNA)
where:
Base-Base interactions energy: -114.141
where: short stacking energy: -37.080
Base-Backbone interact. energy: -1.049
local terms energy: -52.331054
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -5.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -154.292964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.292964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.292964 (E_RNA)
where:
Base-Base interactions energy: -90.985
where: short stacking energy: -49.677
Base-Backbone interact. energy: -0.009
local terms energy: -63.298513
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -103.311455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.311455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.311455 (E_RNA)
where:
Base-Base interactions energy: -52.009
where: short stacking energy: -45.969
Base-Backbone interact. energy: -1.123
local terms energy: -50.179553
where:
bonds (distance) C4'-P energy: -4.414
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -90.799337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.799337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.799337 (E_RNA)
where:
Base-Base interactions energy: -42.280
where: short stacking energy: -23.852
Base-Backbone interact. energy: -0.159
local terms energy: -48.360508
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -8.260
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -80.588097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.588097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.588097 (E_RNA)
where:
Base-Base interactions energy: -34.806
where: short stacking energy: -32.043
Base-Backbone interact. energy: -0.222
local terms energy: -45.560310
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: 1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -79.316121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.316121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.316121 (E_RNA)
where:
Base-Base interactions energy: -22.705
where: short stacking energy: -22.705
Base-Backbone interact. energy: -0.079
local terms energy: -56.533084
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -6.684
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: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -77.635271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.635271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.635271 (E_RNA)
where:
Base-Base interactions energy: -37.978
where: short stacking energy: -26.403
Base-Backbone interact. energy: -0.326
local terms energy: -39.331123
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -0.946
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: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -202.425493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.425493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.425493 (E_RNA)
where:
Base-Base interactions energy: -131.745
where: short stacking energy: -59.660
Base-Backbone interact. energy: -0.144
local terms energy: -70.536679
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -10.494
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: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
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: -125.421
where: short stacking energy: -57.369
Base-Backbone interact. energy: -0.011
local terms energy: -68.811143
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -185.149456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.149456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.149456 (E_RNA)
where:
Base-Base interactions energy: -113.041
where: short stacking energy: -55.184
Base-Backbone interact. energy: 0.568
local terms energy: -72.676405
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -13.273
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: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -165.065104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.065104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.065104 (E_RNA)
where:
Base-Base interactions energy: -99.390
where: short stacking energy: -46.874
Base-Backbone interact. energy: -0.219
local terms energy: -65.456325
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -8.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -173.396830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.396830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.396830 (E_RNA)
where:
Base-Base interactions energy: -113.387
where: short stacking energy: -44.354
Base-Backbone interact. energy: -0.063
local terms energy: -59.946649
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -9.844
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: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -111.823287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.823287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.823287 (E_RNA)
where:
Base-Base interactions energy: -59.638
where: short stacking energy: -39.480
Base-Backbone interact. energy: -0.430
local terms energy: -51.754795
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -8.354
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: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -91.047507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.047507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.047507 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -33.525
Base-Backbone interact. energy: -1.258
local terms energy: -52.819110
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -104.008320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.008320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.008320 (E_RNA)
where:
Base-Base interactions energy: -48.929
where: short stacking energy: -45.741
Base-Backbone interact. energy: -0.104
local terms energy: -54.975147
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -7.359
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -88.377376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.377376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.377376 (E_RNA)
where:
Base-Base interactions energy: -30.289
where: short stacking energy: -29.247
Base-Backbone interact. energy: -0.016
local terms energy: -58.071631
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -86.121495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.121495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.121495 (E_RNA)
where:
Base-Base interactions energy: -45.310
where: short stacking energy: -27.854
Base-Backbone interact. energy: -0.280
local terms energy: -40.531485
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -4.802
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -209.617192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.617192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.617192 (E_RNA)
where:
Base-Base interactions energy: -141.089
where: short stacking energy: -54.894
Base-Backbone interact. energy: -0.381
local terms energy: -68.147323
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -206.020562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.020562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.020562 (E_RNA)
where:
Base-Base interactions energy: -137.692
where: short stacking energy: -55.940
Base-Backbone interact. energy: -0.586
local terms energy: -67.741780
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -169.887586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.887586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.887586 (E_RNA)
where:
Base-Base interactions energy: -107.928
where: short stacking energy: -41.837
Base-Backbone interact. energy: -0.848
local terms energy: -61.112124
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -192.696631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.696631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.696631 (E_RNA)
where:
Base-Base interactions energy: -121.924
where: short stacking energy: -55.524
Base-Backbone interact. energy: -0.032
local terms energy: -70.740262
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -171.867284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.867284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.867284 (E_RNA)
where:
Base-Base interactions energy: -102.922
where: short stacking energy: -57.892
Base-Backbone interact. energy: -0.099
local terms energy: -68.846441
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -134.384108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.384108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.384108 (E_RNA)
where:
Base-Base interactions energy: -74.951
where: short stacking energy: -45.330
Base-Backbone interact. energy: -0.088
local terms energy: -59.344490
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -88.320109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.320109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.320109 (E_RNA)
where:
Base-Base interactions energy: -41.720
where: short stacking energy: -32.319
Base-Backbone interact. energy: -0.131
local terms energy: -46.469196
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: 0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -106.115415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.115415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.115415 (E_RNA)
where:
Base-Base interactions energy: -50.028
where: short stacking energy: -36.549
Base-Backbone interact. energy: -1.157
local terms energy: -54.930166
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -8.048
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: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -115.690210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.690210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.690210 (E_RNA)
where:
Base-Base interactions energy: -61.776
where: short stacking energy: -27.338
Base-Backbone interact. energy: -0.211
local terms energy: -53.703929
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -5.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -87.333725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.333725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.333725 (E_RNA)
where:
Base-Base interactions energy: -38.393
where: short stacking energy: -34.216
Base-Backbone interact. energy: -0.567
local terms energy: -48.374052
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -207.797448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.797448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.797448 (E_RNA)
where:
Base-Base interactions energy: -138.144
where: short stacking energy: -59.393
Base-Backbone interact. energy: -0.806
local terms energy: -68.847561
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -177.153860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.153860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.153860 (E_RNA)
where:
Base-Base interactions energy: -117.535
where: short stacking energy: -52.540
Base-Backbone interact. energy: -0.056
local terms energy: -59.563487
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -12.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -188.921479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.921479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.921479 (E_RNA)
where:
Base-Base interactions energy: -126.155
where: short stacking energy: -61.549
Base-Backbone interact. energy: -0.017
local terms energy: -62.749229
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -166.526117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.526117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.526117 (E_RNA)
where:
Base-Base interactions energy: -105.807
where: short stacking energy: -55.337
Base-Backbone interact. energy: -0.059
local terms energy: -60.659672
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -10.434
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: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -171.769729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.769729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.769729 (E_RNA)
where:
Base-Base interactions energy: -109.164
where: short stacking energy: -48.813
Base-Backbone interact. energy: -0.072
local terms energy: -62.533069
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -9.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -97.869725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.869725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.869725 (E_RNA)
where:
Base-Base interactions energy: -47.274
where: short stacking energy: -36.887
Base-Backbone interact. energy: -0.099
local terms energy: -50.496707
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -1.630
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -98.067588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.067588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.067588 (E_RNA)
where:
Base-Base interactions energy: -46.014
where: short stacking energy: -33.965
Base-Backbone interact. energy: -0.037
local terms energy: -52.017287
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -140.606949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.606949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.606949 (E_RNA)
where:
Base-Base interactions energy: -79.251
where: short stacking energy: -42.654
Base-Backbone interact. energy: -0.108
local terms energy: -61.247757
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -91.794811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.794811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.794811 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -28.181
Base-Backbone interact. energy: 0.187
local terms energy: -59.731651
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -3.399
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: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -80.487105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.487105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.487105 (E_RNA)
where:
Base-Base interactions energy: -38.084
where: short stacking energy: -30.188
Base-Backbone interact. energy: -0.136
local terms energy: -42.266871
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -5.733
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: -8.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -212.440824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.440824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.440824 (E_RNA)
where:
Base-Base interactions energy: -142.777
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.116
local terms energy: -69.547613
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -13.036
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: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -185.156416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.156416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.156416 (E_RNA)
where:
Base-Base interactions energy: -116.611
where: short stacking energy: -58.155
Base-Backbone interact. energy: -0.492
local terms energy: -68.052793
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -9.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -168.364395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.364395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.364395 (E_RNA)
where:
Base-Base interactions energy: -103.255
where: short stacking energy: -55.198
Base-Backbone interact. energy: -0.434
local terms energy: -64.675288
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -9.272
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: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -182.744432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.744432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.744432 (E_RNA)
where:
Base-Base interactions energy: -116.171
where: short stacking energy: -53.469
Base-Backbone interact. energy: -0.083
local terms energy: -66.490321
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -155.234998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.234998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.234998 (E_RNA)
where:
Base-Base interactions energy: -96.399
where: short stacking energy: -49.489
Base-Backbone interact. energy: -0.086
local terms energy: -58.749820
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -93.571610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.571610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.571610 (E_RNA)
where:
Base-Base interactions energy: -41.110
where: short stacking energy: -40.902
Base-Backbone interact. energy: 0.037
local terms energy: -52.498998
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -4.762
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -109.487715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.487715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.487715 (E_RNA)
where:
Base-Base interactions energy: -60.159
where: short stacking energy: -38.479
Base-Backbone interact. energy: -1.135
local terms energy: -48.193555
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -101.359971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.359971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.359971 (E_RNA)
where:
Base-Base interactions energy: -46.021
where: short stacking energy: -32.417
Base-Backbone interact. energy: 0.170
local terms energy: -55.508954
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -79.515274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.515274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.515274 (E_RNA)
where:
Base-Base interactions energy: -30.652
where: short stacking energy: -30.652
Base-Backbone interact. energy: -0.198
local terms energy: -48.665513
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -74.148456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.148456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.148456 (E_RNA)
where:
Base-Base interactions energy: -25.322
where: short stacking energy: -25.322
Base-Backbone interact. energy: -0.030
local terms energy: -48.796030
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -2.821
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: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -213.411819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.411819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.411819 (E_RNA)
where:
Base-Base interactions energy: -147.732
where: short stacking energy: -58.657
Base-Backbone interact. energy: -0.014
local terms energy: -65.665330
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -11.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -183.112342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.112342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.112342 (E_RNA)
where:
Base-Base interactions energy: -110.574
where: short stacking energy: -56.258
Base-Backbone interact. energy: -0.060
local terms energy: -72.477836
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -16.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -187.228214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.228214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.228214 (E_RNA)
where:
Base-Base interactions energy: -117.999
where: short stacking energy: -57.066
Base-Backbone interact. energy: -0.334
local terms energy: -68.894334
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -12.672
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: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -173.833030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.833030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.833030 (E_RNA)
where:
Base-Base interactions energy: -108.053
where: short stacking energy: -53.979
Base-Backbone interact. energy: -0.035
local terms energy: -65.744335
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -156.519765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.519765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.519765 (E_RNA)
where:
Base-Base interactions energy: -85.932
where: short stacking energy: -41.962
Base-Backbone interact. energy: -0.272
local terms energy: -70.315936
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -96.881979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.881979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.881979 (E_RNA)
where:
Base-Base interactions energy: -46.883
where: short stacking energy: -35.067
Base-Backbone interact. energy: -0.376
local terms energy: -49.623351
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -93.777946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.777946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.777946 (E_RNA)
where:
Base-Base interactions energy: -42.020
where: short stacking energy: -33.429
Base-Backbone interact. energy: -0.178
local terms energy: -51.580153
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -89.981129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.981129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.981129 (E_RNA)
where:
Base-Base interactions energy: -46.116
where: short stacking energy: -23.742
Base-Backbone interact. energy: -0.063
local terms energy: -43.802214
where:
bonds (distance) C4'-P energy: -9.207
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -81.474485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.474485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.474485 (E_RNA)
where:
Base-Base interactions energy: -27.045
where: short stacking energy: -24.834
Base-Backbone interact. energy: -0.184
local terms energy: -54.245749
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -79.814406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.814406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.814406 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -30.713
Base-Backbone interact. energy: -0.123
local terms energy: -48.177133
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -210.151123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.151123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.151123 (E_RNA)
where:
Base-Base interactions energy: -140.851
where: short stacking energy: -62.941
Base-Backbone interact. energy: -0.131
local terms energy: -69.168435
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -18.273
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: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -201.995311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.995311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.995311 (E_RNA)
where:
Base-Base interactions energy: -127.475
where: short stacking energy: -63.956
Base-Backbone interact. energy: -0.117
local terms energy: -74.402809
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -178.852345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.852345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.852345 (E_RNA)
where:
Base-Base interactions energy: -106.727
where: short stacking energy: -53.747
Base-Backbone interact. energy: -0.007
local terms energy: -72.118673
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -188.691389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.691389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.691389 (E_RNA)
where:
Base-Base interactions energy: -124.726
where: short stacking energy: -61.174
Base-Backbone interact. energy: 0.039
local terms energy: -64.004522
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -11.295
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: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -168.395734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.395734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.395734 (E_RNA)
where:
Base-Base interactions energy: -99.666
where: short stacking energy: -54.884
Base-Backbone interact. energy: -0.580
local terms energy: -68.149878
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -89.684214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.684214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.684214 (E_RNA)
where:
Base-Base interactions energy: -35.505
where: short stacking energy: -35.505
Base-Backbone interact. energy: -0.125
local terms energy: -54.053754
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -5.131
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: 352
Temperature: 1.200000
Total energy: -94.219882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.219882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.219882 (E_RNA)
where:
Base-Base interactions energy: -45.907
where: short stacking energy: -37.314
Base-Backbone interact. energy: 1.181
local terms energy: -49.494242
where:
bonds (distance) C4'-P energy: -7.666
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -88.470536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.470536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.470536 (E_RNA)
where:
Base-Base interactions energy: -31.346
where: short stacking energy: -31.346
Base-Backbone interact. energy: -0.022
local terms energy: -57.103103
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -73.754854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.754854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.754854 (E_RNA)
where:
Base-Base interactions energy: -27.812
where: short stacking energy: -27.812
Base-Backbone interact. energy: -0.008
local terms energy: -45.934528
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -10.938
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -79.923134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.923134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.923134 (E_RNA)
where:
Base-Base interactions energy: -30.006
where: short stacking energy: -30.006
Base-Backbone interact. energy: -0.022
local terms energy: -49.894908
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -215.612553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.612553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.612553 (E_RNA)
where:
Base-Base interactions energy: -139.364
where: short stacking energy: -69.947
Base-Backbone interact. energy: -0.166
local terms energy: -76.083415
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -205.456371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.456371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.456371 (E_RNA)
where:
Base-Base interactions energy: -126.968
where: short stacking energy: -67.671
Base-Backbone interact. energy: -0.123
local terms energy: -78.365065
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -20.367
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: 3, replica: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -196.844828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.844828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.844828 (E_RNA)
where:
Base-Base interactions energy: -125.914
where: short stacking energy: -57.241
Base-Backbone interact. energy: 0.085
local terms energy: -71.015793
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -12.226
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: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -174.060091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.060091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.060091 (E_RNA)
where:
Base-Base interactions energy: -110.576
where: short stacking energy: -52.964
Base-Backbone interact. energy: -0.057
local terms energy: -63.426778
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -8.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -172.668206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.668206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.668206 (E_RNA)
where:
Base-Base interactions energy: -101.418
where: short stacking energy: -56.488
Base-Backbone interact. energy: -0.081
local terms energy: -71.168521
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -13.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -106.535361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.535361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.535361 (E_RNA)
where:
Base-Base interactions energy: -47.178
where: short stacking energy: -30.261
Base-Backbone interact. energy: -0.160
local terms energy: -59.196624
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -87.963558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.963558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.963558 (E_RNA)
where:
Base-Base interactions energy: -35.011
where: short stacking energy: -30.554
Base-Backbone interact. energy: -0.246
local terms energy: -52.706002
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -95.970245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.970245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.970245 (E_RNA)
where:
Base-Base interactions energy: -43.949
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.292
local terms energy: -51.729658
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -8.902
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -1.408
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: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -91.555938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.555938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.555938 (E_RNA)
where:
Base-Base interactions energy: -46.805
where: short stacking energy: -30.247
Base-Backbone interact. energy: 0.991
local terms energy: -45.742260
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: 0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -77.981293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.981293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.981293 (E_RNA)
where:
Base-Base interactions energy: -37.607
where: short stacking energy: -29.196
Base-Backbone interact. energy: -0.376
local terms energy: -39.999020
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -6.327
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: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -214.325223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.325223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.325223 (E_RNA)
where:
Base-Base interactions energy: -144.076
where: short stacking energy: -59.950
Base-Backbone interact. energy: -0.350
local terms energy: -69.899628
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -196.034250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.034250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.034250 (E_RNA)
where:
Base-Base interactions energy: -121.373
where: short stacking energy: -63.399
Base-Backbone interact. energy: -0.013
local terms energy: -74.647969
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -197.727463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.727463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.727463 (E_RNA)
where:
Base-Base interactions energy: -129.918
where: short stacking energy: -60.205
Base-Backbone interact. energy: -0.096
local terms energy: -67.713572
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -15.060
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: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -194.140386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.140386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.140386 (E_RNA)
where:
Base-Base interactions energy: -130.695
where: short stacking energy: -59.724
Base-Backbone interact. energy: -0.686
local terms energy: -62.759026
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -163.767333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.767333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.767333 (E_RNA)
where:
Base-Base interactions energy: -94.357
where: short stacking energy: -54.123
Base-Backbone interact. energy: -0.011
local terms energy: -69.398755
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -10.906
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: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -103.734704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.734704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.734704 (E_RNA)
where:
Base-Base interactions energy: -46.761
where: short stacking energy: -41.849
Base-Backbone interact. energy: -0.176
local terms energy: -56.797949
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -100.344962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.344962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.344962 (E_RNA)
where:
Base-Base interactions energy: -45.331
where: short stacking energy: -30.282
Base-Backbone interact. energy: -0.141
local terms energy: -54.873406
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -96.762391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.762391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.762391 (E_RNA)
where:
Base-Base interactions energy: -42.040
where: short stacking energy: -32.602
Base-Backbone interact. energy: -0.030
local terms energy: -54.692358
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -7.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -92.125100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.125100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.125100 (E_RNA)
where:
Base-Base interactions energy: -44.895
where: short stacking energy: -43.133
Base-Backbone interact. energy: -0.256
local terms energy: -46.974370
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -87.416321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.416321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.416321 (E_RNA)
where:
Base-Base interactions energy: -40.036
where: short stacking energy: -40.036
Base-Backbone interact. energy: -0.092
local terms energy: -47.288780
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -206.395363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.395363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.395363 (E_RNA)
where:
Base-Base interactions energy: -146.563
where: short stacking energy: -68.329
Base-Backbone interact. energy: -0.060
local terms energy: -59.772126
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -13.574
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: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -211.442198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.442198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.442198 (E_RNA)
where:
Base-Base interactions energy: -139.507
where: short stacking energy: -63.133
Base-Backbone interact. energy: -0.188
local terms energy: -71.747282
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -11.436
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: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -175.071829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.071829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.071829 (E_RNA)
where:
Base-Base interactions energy: -104.853
where: short stacking energy: -48.219
Base-Backbone interact. energy: -0.017
local terms energy: -70.201593
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -8.922
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: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -187.243757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.243757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.243757 (E_RNA)
where:
Base-Base interactions energy: -122.670
where: short stacking energy: -56.131
Base-Backbone interact. energy: 1.406
local terms energy: -65.979832
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -152.337807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.337807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.337807 (E_RNA)
where:
Base-Base interactions energy: -89.719
where: short stacking energy: -44.416
Base-Backbone interact. energy: -0.044
local terms energy: -62.574773
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -9.319
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: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -106.094426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.094426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.094426 (E_RNA)
where:
Base-Base interactions energy: -47.848
where: short stacking energy: -39.189
Base-Backbone interact. energy: -0.247
local terms energy: -57.999849
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -87.444692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.444692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.444692 (E_RNA)
where:
Base-Base interactions energy: -32.949
where: short stacking energy: -32.725
Base-Backbone interact. energy: 0.119
local terms energy: -54.615277
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -6.554
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -87.468122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.468122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.468122 (E_RNA)
where:
Base-Base interactions energy: -35.232
where: short stacking energy: -33.703
Base-Backbone interact. energy: 4.245
local terms energy: -56.481024
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -104.158326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.158326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.158326 (E_RNA)
where:
Base-Base interactions energy: -50.465
where: short stacking energy: -40.432
Base-Backbone interact. energy: -0.044
local terms energy: -53.649708
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -81.281008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.281008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.281008 (E_RNA)
where:
Base-Base interactions energy: -30.834
where: short stacking energy: -27.347
Base-Backbone interact. energy: -0.165
local terms energy: -50.281922
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -8.598
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -7.142
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: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -207.754883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.754883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.754883 (E_RNA)
where:
Base-Base interactions energy: -132.874
where: short stacking energy: -63.236
Base-Backbone interact. energy: -0.156
local terms energy: -74.724617
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -17.481
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: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -204.166796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.166796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.166796 (E_RNA)
where:
Base-Base interactions energy: -142.946
where: short stacking energy: -63.592
Base-Backbone interact. energy: 0.259
local terms energy: -61.479380
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -12.048
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: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -189.405945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.405945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.405945 (E_RNA)
where:
Base-Base interactions energy: -121.046
where: short stacking energy: -59.093
Base-Backbone interact. energy: 0.092
local terms energy: -68.451946
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -176.342575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.342575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.342575 (E_RNA)
where:
Base-Base interactions energy: -113.487
where: short stacking energy: -39.279
Base-Backbone interact. energy: -1.176
local terms energy: -61.679050
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -159.038903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.038903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.038903 (E_RNA)
where:
Base-Base interactions energy: -90.228
where: short stacking energy: -49.403
Base-Backbone interact. energy: 0.934
local terms energy: -69.744756
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -10.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -101.635351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.635351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.635351 (E_RNA)
where:
Base-Base interactions energy: -47.455
where: short stacking energy: -37.730
Base-Backbone interact. energy: -0.262
local terms energy: -53.918373
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -87.946014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.946014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.946014 (E_RNA)
where:
Base-Base interactions energy: -27.661
where: short stacking energy: -27.661
Base-Backbone interact. energy: -0.421
local terms energy: -59.864488
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -96.509862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.509862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.509862 (E_RNA)
where:
Base-Base interactions energy: -46.006
where: short stacking energy: -40.051
Base-Backbone interact. energy: -0.123
local terms energy: -50.380688
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -96.221696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.221696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.221696 (E_RNA)
where:
Base-Base interactions energy: -35.624
where: short stacking energy: -35.624
Base-Backbone interact. energy: -0.200
local terms energy: -60.397827
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -79.984013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.984013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.984013 (E_RNA)
where:
Base-Base interactions energy: -37.298
where: short stacking energy: -29.922
Base-Backbone interact. energy: 0.814
local terms energy: -43.500645
where:
bonds (distance) C4'-P energy: -4.783
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -214.447575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.447575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.447575 (E_RNA)
where:
Base-Base interactions energy: -138.212
where: short stacking energy: -70.677
Base-Backbone interact. energy: -0.141
local terms energy: -76.095187
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -9.105
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: 2, replica: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -199.687895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.687895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.687895 (E_RNA)
where:
Base-Base interactions energy: -133.278
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.054
local terms energy: -66.355459
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -7.945
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: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -198.254753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.254753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.254753 (E_RNA)
where:
Base-Base interactions energy: -136.477
where: short stacking energy: -61.246
Base-Backbone interact. energy: 0.056
local terms energy: -61.834095
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -181.673077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.673077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.673077 (E_RNA)
where:
Base-Base interactions energy: -120.552
where: short stacking energy: -61.100
Base-Backbone interact. energy: 0.526
local terms energy: -61.646826
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -165.042811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.042811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.042811 (E_RNA)
where:
Base-Base interactions energy: -97.204
where: short stacking energy: -52.502
Base-Backbone interact. energy: -0.063
local terms energy: -67.775405
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -92.780103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.780103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.780103 (E_RNA)
where:
Base-Base interactions energy: -41.951
where: short stacking energy: -21.974
Base-Backbone interact. energy: -0.243
local terms energy: -50.586243
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: 2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -98.756933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.756933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.756933 (E_RNA)
where:
Base-Base interactions energy: -43.941
where: short stacking energy: -37.242
Base-Backbone interact. energy: 0.898
local terms energy: -55.714138
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -7.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -95.874478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.874478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.874478 (E_RNA)
where:
Base-Base interactions energy: -37.222
where: short stacking energy: -33.496
Base-Backbone interact. energy: 2.014
local terms energy: -60.665953
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -92.180535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.180535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.180535 (E_RNA)
where:
Base-Base interactions energy: -33.971
where: short stacking energy: -32.271
Base-Backbone interact. energy: -0.407
local terms energy: -57.802294
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -81.574474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.574474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.574474 (E_RNA)
where:
Base-Base interactions energy: -32.354
where: short stacking energy: -21.233
Base-Backbone interact. energy: -1.579
local terms energy: -47.641747
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -214.837281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.837281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.837281 (E_RNA)
where:
Base-Base interactions energy: -148.641
where: short stacking energy: -71.956
Base-Backbone interact. energy: -0.004
local terms energy: -66.193091
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -202.712717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.712717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.712717 (E_RNA)
where:
Base-Base interactions energy: -137.042
where: short stacking energy: -63.769
Base-Backbone interact. energy: -0.505
local terms energy: -65.165528
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -204.252814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.252814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.252814 (E_RNA)
where:
Base-Base interactions energy: -134.171
where: short stacking energy: -67.952
Base-Backbone interact. energy: -0.002
local terms energy: -70.080502
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -187.524859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.524859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.524859 (E_RNA)
where:
Base-Base interactions energy: -122.328
where: short stacking energy: -52.736
Base-Backbone interact. energy: -0.430
local terms energy: -64.767305
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -12.559
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: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -167.722539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.722539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.722539 (E_RNA)
where:
Base-Base interactions energy: -105.076
where: short stacking energy: -51.164
Base-Backbone interact. energy: -0.095
local terms energy: -62.551295
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -9.642
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -95.968977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.968977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.968977 (E_RNA)
where:
Base-Base interactions energy: -36.668
where: short stacking energy: -36.761
Base-Backbone interact. energy: -0.050
local terms energy: -59.251805
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -9.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -88.174227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.174227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.174227 (E_RNA)
where:
Base-Base interactions energy: -35.147
where: short stacking energy: -27.719
Base-Backbone interact. energy: -0.000
local terms energy: -53.027359
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -0.992
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: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -84.413104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.413104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.413104 (E_RNA)
where:
Base-Base interactions energy: -31.904
where: short stacking energy: -30.781
Base-Backbone interact. energy: -0.064
local terms energy: -52.444406
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -81.618725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.618725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.618725 (E_RNA)
where:
Base-Base interactions energy: -29.169
where: short stacking energy: -28.004
Base-Backbone interact. energy: -0.153
local terms energy: -52.296174
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -76.713294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.713294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.713294 (E_RNA)
where:
Base-Base interactions energy: -29.110
where: short stacking energy: -28.315
Base-Backbone interact. energy: -0.132
local terms energy: -47.470842
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -7.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -216.121400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.121400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.121400 (E_RNA)
where:
Base-Base interactions energy: -141.249
where: short stacking energy: -73.231
Base-Backbone interact. energy: 2.250
local terms energy: -77.122647
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -187.327281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.327281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.327281 (E_RNA)
where:
Base-Base interactions energy: -111.760
where: short stacking energy: -60.071
Base-Backbone interact. energy: -0.063
local terms energy: -75.504426
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -199.316738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.316738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.316738 (E_RNA)
where:
Base-Base interactions energy: -117.674
where: short stacking energy: -69.721
Base-Backbone interact. energy: -0.946
local terms energy: -80.696454
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -22.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -163.802130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.802130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.802130 (E_RNA)
where:
Base-Base interactions energy: -104.886
where: short stacking energy: -44.327
Base-Backbone interact. energy: 0.136
local terms energy: -59.052350
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -173.964897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.964897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.964897 (E_RNA)
where:
Base-Base interactions energy: -106.626
where: short stacking energy: -43.805
Base-Backbone interact. energy: -0.025
local terms energy: -67.314116
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -111.964717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.964717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.964717 (E_RNA)
where:
Base-Base interactions energy: -51.843
where: short stacking energy: -42.702
Base-Backbone interact. energy: -0.010
local terms energy: -60.111727
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -100.750314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.750314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.750314 (E_RNA)
where:
Base-Base interactions energy: -44.249
where: short stacking energy: -38.625
Base-Backbone interact. energy: 0.783
local terms energy: -57.284672
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -78.301113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.301113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.301113 (E_RNA)
where:
Base-Base interactions energy: -35.449
where: short stacking energy: -21.026
Base-Backbone interact. energy: -1.159
local terms energy: -41.693978
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: 2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -79.129486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.129486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.129486 (E_RNA)
where:
Base-Base interactions energy: -31.013
where: short stacking energy: -19.784
Base-Backbone interact. energy: -0.264
local terms energy: -47.852288
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: 2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -74.262100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.262100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.262100 (E_RNA)
where:
Base-Base interactions energy: -20.164
where: short stacking energy: -17.996
Base-Backbone interact. energy: -0.310
local terms energy: -53.788048
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -210.194129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.194129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.194129 (E_RNA)
where:
Base-Base interactions energy: -140.784
where: short stacking energy: -63.582
Base-Backbone interact. energy: -0.215
local terms energy: -69.195133
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -187.183742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.183742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.183742 (E_RNA)
where:
Base-Base interactions energy: -118.809
where: short stacking energy: -59.720
Base-Backbone interact. energy: -0.133
local terms energy: -68.241508
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -182.311036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.311036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.311036 (E_RNA)
where:
Base-Base interactions energy: -109.470
where: short stacking energy: -60.661
Base-Backbone interact. energy: -0.132
local terms energy: -72.709389
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -17.959
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: 360
Temperature: 1.050000
Total energy: -156.011809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.011809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.011809 (E_RNA)
where:
Base-Base interactions energy: -95.472
where: short stacking energy: -47.038
Base-Backbone interact. energy: -0.116
local terms energy: -60.423853
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -9.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -182.613891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.613891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.613891 (E_RNA)
where:
Base-Base interactions energy: -120.711
where: short stacking energy: -51.282
Base-Backbone interact. energy: -0.351
local terms energy: -61.552404
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -7.846
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: 2
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -99.610129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.610129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.610129 (E_RNA)
where:
Base-Base interactions energy: -38.284
where: short stacking energy: -35.211
Base-Backbone interact. energy: -0.436
local terms energy: -60.890019
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -8.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -95.869903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.869903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.869903 (E_RNA)
where:
Base-Base interactions energy: -44.764
where: short stacking energy: -33.397
Base-Backbone interact. energy: 0.551
local terms energy: -51.657278
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -9.000
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -98.020998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.020998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.020998 (E_RNA)
where:
Base-Base interactions energy: -38.459
where: short stacking energy: -37.407
Base-Backbone interact. energy: -0.040
local terms energy: -59.522352
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -9.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -90.652112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.652112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.652112 (E_RNA)
where:
Base-Base interactions energy: -36.017
where: short stacking energy: -36.017
Base-Backbone interact. energy: 0.207
local terms energy: -54.842183
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -80.085734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.085734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.085734 (E_RNA)
where:
Base-Base interactions energy: -33.292
where: short stacking energy: -21.995
Base-Backbone interact. energy: -0.108
local terms energy: -46.685230
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -211.414869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.414869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.414869 (E_RNA)
where:
Base-Base interactions energy: -139.132
where: short stacking energy: -55.933
Base-Backbone interact. energy: -0.111
local terms energy: -72.172051
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -17.927
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: 2, replica: 6
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -187.759962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.759962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.759962 (E_RNA)
where:
Base-Base interactions energy: -115.833
where: short stacking energy: -59.199
Base-Backbone interact. energy: -0.003
local terms energy: -71.923882
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -8.868
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: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -184.218502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.218502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.218502 (E_RNA)
where:
Base-Base interactions energy: -121.402
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.061
local terms energy: -62.755472
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -6.654
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: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -185.079374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.079374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.079374 (E_RNA)
where:
Base-Base interactions energy: -119.595
where: short stacking energy: -54.313
Base-Backbone interact. energy: -0.100
local terms energy: -65.384952
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -12.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -165.877867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.877867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.877867 (E_RNA)
where:
Base-Base interactions energy: -100.634
where: short stacking energy: -57.052
Base-Backbone interact. energy: -0.124
local terms energy: -65.120005
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -90.163610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.163610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.163610 (E_RNA)
where:
Base-Base interactions energy: -33.965
where: short stacking energy: -26.157
Base-Backbone interact. energy: -0.192
local terms energy: -56.007337
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -5.281
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: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -104.690224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.690224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.690224 (E_RNA)
where:
Base-Base interactions energy: -40.973
where: short stacking energy: -40.973
Base-Backbone interact. energy: -0.101
local terms energy: -63.616307
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -11.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -79.154609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.154609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.154609 (E_RNA)
where:
Base-Base interactions energy: -26.512
where: short stacking energy: -26.512
Base-Backbone interact. energy: 1.216
local terms energy: -53.859285
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -105.196904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.196904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.196904 (E_RNA)
where:
Base-Base interactions energy: -41.440
where: short stacking energy: -33.162
Base-Backbone interact. energy: 0.892
local terms energy: -64.649216
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -78.654872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.654872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.654872 (E_RNA)
where:
Base-Base interactions energy: -27.795
where: short stacking energy: -21.183
Base-Backbone interact. energy: -0.215
local terms energy: -50.644311
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: 2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -205.779101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.779101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.779101 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.225
local terms energy: -69.330660
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -179.359383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.359383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.359383 (E_RNA)
where:
Base-Base interactions energy: -108.022
where: short stacking energy: -67.875
Base-Backbone interact. energy: -0.001
local terms energy: -71.336555
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -201.850827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.850827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.850827 (E_RNA)
where:
Base-Base interactions energy: -131.444
where: short stacking energy: -61.722
Base-Backbone interact. energy: -0.829
local terms energy: -69.577876
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -178.636763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.636763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.636763 (E_RNA)
where:
Base-Base interactions energy: -126.660
where: short stacking energy: -38.310
Base-Backbone interact. energy: -0.124
local terms energy: -51.853016
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -153.927961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.927961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.927961 (E_RNA)
where:
Base-Base interactions energy: -95.353
where: short stacking energy: -48.081
Base-Backbone interact. energy: -0.040
local terms energy: -58.535624
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -138.095501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.095501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.095501 (E_RNA)
where:
Base-Base interactions energy: -82.058
where: short stacking energy: -47.795
Base-Backbone interact. energy: -0.077
local terms energy: -55.960898
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -89.274936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.274936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.274936 (E_RNA)
where:
Base-Base interactions energy: -40.619
where: short stacking energy: -32.531
Base-Backbone interact. energy: -0.471
local terms energy: -48.184694
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -87.210364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.210364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.210364 (E_RNA)
where:
Base-Base interactions energy: -28.895
where: short stacking energy: -28.895
Base-Backbone interact. energy: -0.018
local terms energy: -58.297125
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -92.526933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.526933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.526933 (E_RNA)
where:
Base-Base interactions energy: -42.149
where: short stacking energy: -32.276
Base-Backbone interact. energy: -0.017
local terms energy: -50.360665
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -78.404162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.404162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.404162 (E_RNA)
where:
Base-Base interactions energy: -27.924
where: short stacking energy: -22.839
Base-Backbone interact. energy: -0.065
local terms energy: -50.415062
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -4.317
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: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -208.778116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.778116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.778116 (E_RNA)
where:
Base-Base interactions energy: -138.208
where: short stacking energy: -61.660
Base-Backbone interact. energy: -0.579
local terms energy: -69.991656
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -11.415
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: 2, replica: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -205.284030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.284030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.284030 (E_RNA)
where:
Base-Base interactions energy: -134.554
where: short stacking energy: -67.193
Base-Backbone interact. energy: 0.014
local terms energy: -70.744293
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -182.106589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.106589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.106589 (E_RNA)
where:
Base-Base interactions energy: -122.940
where: short stacking energy: -57.043
Base-Backbone interact. energy: -0.075
local terms energy: -59.092286
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: -7.589
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: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -176.746318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.746318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.746318 (E_RNA)
where:
Base-Base interactions energy: -106.374
where: short stacking energy: -46.640
Base-Backbone interact. energy: -0.050
local terms energy: -70.323089
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -10.379
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: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -176.106438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.106438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.106438 (E_RNA)
where:
Base-Base interactions energy: -110.174
where: short stacking energy: -52.381
Base-Backbone interact. energy: -0.404
local terms energy: -65.527874
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -137.611277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.611277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.611277 (E_RNA)
where:
Base-Base interactions energy: -75.532
where: short stacking energy: -48.012
Base-Backbone interact. energy: -0.006
local terms energy: -62.072411
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -86.592777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.592777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.592777 (E_RNA)
where:
Base-Base interactions energy: -33.887
where: short stacking energy: -33.340
Base-Backbone interact. energy: -0.140
local terms energy: -52.565062
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -93.888353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.888353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.888353 (E_RNA)
where:
Base-Base interactions energy: -34.550
where: short stacking energy: -32.320
Base-Backbone interact. energy: -0.190
local terms energy: -59.148263
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -10.272
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: 5
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -84.773846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.773846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.773846 (E_RNA)
where:
Base-Base interactions energy: -32.657
where: short stacking energy: -33.163
Base-Backbone interact. energy: -0.095
local terms energy: -52.021314
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -75.719957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.719957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.719957 (E_RNA)
where:
Base-Base interactions energy: -33.335
where: short stacking energy: -33.335
Base-Backbone interact. energy: 3.494
local terms energy: -45.878889
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -213.735377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.735377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.735377 (E_RNA)
where:
Base-Base interactions energy: -138.131
where: short stacking energy: -71.905
Base-Backbone interact. energy: -0.106
local terms energy: -75.498747
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -21.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -195.655643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.655643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.655643 (E_RNA)
where:
Base-Base interactions energy: -124.662
where: short stacking energy: -55.184
Base-Backbone interact. energy: -0.259
local terms energy: -70.733918
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -16.751
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: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -177.640252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.640252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.640252 (E_RNA)
where:
Base-Base interactions energy: -109.109
where: short stacking energy: -48.306
Base-Backbone interact. energy: -0.242
local terms energy: -68.289530
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -163.826603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.826603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.826603 (E_RNA)
where:
Base-Base interactions energy: -88.975
where: short stacking energy: -50.971
Base-Backbone interact. energy: -0.015
local terms energy: -74.836854
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -14.315
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: 5, replica: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -170.665719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.665719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.665719 (E_RNA)
where:
Base-Base interactions energy: -117.235
where: short stacking energy: -41.338
Base-Backbone interact. energy: -0.034
local terms energy: -53.396833
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -7.034
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: 364
Temperature: 1.150000
Total energy: -146.212903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.212903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.212903 (E_RNA)
where:
Base-Base interactions energy: -82.023
where: short stacking energy: -38.088
Base-Backbone interact. energy: -0.307
local terms energy: -63.882838
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -96.606508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.606508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.606508 (E_RNA)
where:
Base-Base interactions energy: -39.775
where: short stacking energy: -38.167
Base-Backbone interact. energy: -0.191
local terms energy: -56.640379
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -89.495614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.495614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.495614 (E_RNA)
where:
Base-Base interactions energy: -27.749
where: short stacking energy: -27.749
Base-Backbone interact. energy: 0.882
local terms energy: -62.628513
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -92.322857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.322857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.322857 (E_RNA)
where:
Base-Base interactions energy: -44.186
where: short stacking energy: -31.929
Base-Backbone interact. energy: 0.041
local terms energy: -48.178277
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -7.106
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: 10, replica: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -77.283131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.283131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.283131 (E_RNA)
where:
Base-Base interactions energy: -26.388
where: short stacking energy: -26.388
Base-Backbone interact. energy: -0.192
local terms energy: -50.703273
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: 0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -213.821513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.821513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.821513 (E_RNA)
where:
Base-Base interactions energy: -129.784
where: short stacking energy: -65.624
Base-Backbone interact. energy: -0.016
local terms energy: -84.020989
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -206.270124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.270124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.270124 (E_RNA)
where:
Base-Base interactions energy: -139.342
where: short stacking energy: -61.214
Base-Backbone interact. energy: -0.236
local terms energy: -66.691360
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -185.990984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.990984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.990984 (E_RNA)
where:
Base-Base interactions energy: -122.124
where: short stacking energy: -57.029
Base-Backbone interact. energy: -0.836
local terms energy: -63.030809
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -177.415748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.415748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.415748 (E_RNA)
where:
Base-Base interactions energy: -105.873
where: short stacking energy: -53.606
Base-Backbone interact. energy: -0.088
local terms energy: -71.454661
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -16.774
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: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -156.708024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.708024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.708024 (E_RNA)
where:
Base-Base interactions energy: -91.319
where: short stacking energy: -54.243
Base-Backbone interact. energy: -0.006
local terms energy: -65.383268
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -17.223
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: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -154.372214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.372214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.372214 (E_RNA)
where:
Base-Base interactions energy: -91.617
where: short stacking energy: -47.255
Base-Backbone interact. energy: 0.046
local terms energy: -62.801098
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -86.047259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.047259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.047259 (E_RNA)
where:
Base-Base interactions energy: -41.294
where: short stacking energy: -20.707
Base-Backbone interact. energy: -0.550
local terms energy: -44.202447
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: 3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -97.223267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.223267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.223267 (E_RNA)
where:
Base-Base interactions energy: -46.639
where: short stacking energy: -26.163
Base-Backbone interact. energy: 0.177
local terms energy: -50.760587
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -6.282
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -123.995154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.995154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.995154 (E_RNA)
where:
Base-Base interactions energy: -71.502
where: short stacking energy: -34.731
Base-Backbone interact. energy: -0.907
local terms energy: -51.585971
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -8.732
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: 10, replica: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -78.796869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.796869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.796869 (E_RNA)
where:
Base-Base interactions energy: -38.062
where: short stacking energy: -19.295
Base-Backbone interact. energy: -0.204
local terms energy: -40.530843
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: 3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -216.239836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.239836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.239836 (E_RNA)
where:
Base-Base interactions energy: -138.479
where: short stacking energy: -76.690
Base-Backbone interact. energy: -0.002
local terms energy: -77.758168
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -20.143
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: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -194.109392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.109392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.109392 (E_RNA)
where:
Base-Base interactions energy: -130.193
where: short stacking energy: -43.944
Base-Backbone interact. energy: -0.139
local terms energy: -63.777437
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -9.640
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: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -200.209676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.209676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.209676 (E_RNA)
where:
Base-Base interactions energy: -128.162
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.000
local terms energy: -72.047157
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -18.296
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: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -194.539348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.539348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.539348 (E_RNA)
where:
Base-Base interactions energy: -125.092
where: short stacking energy: -63.242
Base-Backbone interact. energy: -0.000
local terms energy: -69.446908
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -8.139
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -148.253685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.253685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.253685 (E_RNA)
where:
Base-Base interactions energy: -87.505
where: short stacking energy: -55.227
Base-Backbone interact. energy: -0.678
local terms energy: -60.070777
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -8.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -135.591135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.591135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.591135 (E_RNA)
where:
Base-Base interactions energy: -81.350
where: short stacking energy: -38.550
Base-Backbone interact. energy: -0.876
local terms energy: -53.365114
where:
bonds (distance) C4'-P energy: -6.087
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -7.631
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: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -99.993439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.993439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.993439 (E_RNA)
where:
Base-Base interactions energy: -50.718
where: short stacking energy: -27.400
Base-Backbone interact. energy: -0.185
local terms energy: -49.091152
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -0.054
tors. eta vs tors. theta energy: -2.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -87.230614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.230614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.230614 (E_RNA)
where:
Base-Base interactions energy: -39.736
where: short stacking energy: -35.952
Base-Backbone interact. energy: 0.216
local terms energy: -47.711163
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -7.305
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: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -135.273006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.273006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.273006 (E_RNA)
where:
Base-Base interactions energy: -79.202
where: short stacking energy: -40.130
Base-Backbone interact. energy: -0.134
local terms energy: -55.937454
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -3.396
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: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -82.873963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.873963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.873963 (E_RNA)
where:
Base-Base interactions energy: -32.805
where: short stacking energy: -32.805
Base-Backbone interact. energy: -0.012
local terms energy: -50.057638
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -8.643
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -206.712824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.712824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.712824 (E_RNA)
where:
Base-Base interactions energy: -132.796
where: short stacking energy: -66.719
Base-Backbone interact. energy: -0.008
local terms energy: -73.909626
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -16.889
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: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -199.474893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.474893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.474893 (E_RNA)
where:
Base-Base interactions energy: -130.669
where: short stacking energy: -62.201
Base-Backbone interact. energy: -0.019
local terms energy: -68.787260
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -13.041
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: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -193.869326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.869326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.869326 (E_RNA)
where:
Base-Base interactions energy: -127.145
where: short stacking energy: -60.229
Base-Backbone interact. energy: -0.012
local terms energy: -66.711577
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -190.588786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.588786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.588786 (E_RNA)
where:
Base-Base interactions energy: -115.296
where: short stacking energy: -67.311
Base-Backbone interact. energy: -0.028
local terms energy: -75.264503
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -22.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -142.253277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.253277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.253277 (E_RNA)
where:
Base-Base interactions energy: -86.601
where: short stacking energy: -48.378
Base-Backbone interact. energy: -0.212
local terms energy: -55.440352
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -9.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -125.396015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.396015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.396015 (E_RNA)
where:
Base-Base interactions energy: -68.536
where: short stacking energy: -45.308
Base-Backbone interact. energy: 0.352
local terms energy: -57.212233
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -4.106
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: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -133.464510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.464510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.464510 (E_RNA)
where:
Base-Base interactions energy: -77.347
where: short stacking energy: -32.114
Base-Backbone interact. energy: -0.627
local terms energy: -55.491073
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -9.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -89.665038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.665038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.665038 (E_RNA)
where:
Base-Base interactions energy: -34.399
where: short stacking energy: -26.123
Base-Backbone interact. energy: -0.129
local terms energy: -55.137371
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -87.215497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.215497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.215497 (E_RNA)
where:
Base-Base interactions energy: -41.182
where: short stacking energy: -32.534
Base-Backbone interact. energy: -0.146
local terms energy: -45.887533
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -3.839
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -85.237232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.237232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.237232 (E_RNA)
where:
Base-Base interactions energy: -36.133
where: short stacking energy: -25.381
Base-Backbone interact. energy: 0.648
local terms energy: -49.752619
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: -0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -208.158974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.158974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.158974 (E_RNA)
where:
Base-Base interactions energy: -135.816
where: short stacking energy: -57.734
Base-Backbone interact. energy: -0.072
local terms energy: -72.271011
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -12.540
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: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -199.400226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.400226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.400226 (E_RNA)
where:
Base-Base interactions energy: -132.253
where: short stacking energy: -66.892
Base-Backbone interact. energy: -0.001
local terms energy: -67.146831
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -19.762
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: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -177.607354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.607354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.607354 (E_RNA)
where:
Base-Base interactions energy: -107.738
where: short stacking energy: -52.623
Base-Backbone interact. energy: 0.347
local terms energy: -70.217300
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -173.878350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.878350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.878350 (E_RNA)
where:
Base-Base interactions energy: -109.630
where: short stacking energy: -49.510
Base-Backbone interact. energy: -0.090
local terms energy: -64.158897
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -10.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -122.815135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.815135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.815135 (E_RNA)
where:
Base-Base interactions energy: -59.173
where: short stacking energy: -58.463
Base-Backbone interact. energy: -0.001
local terms energy: -63.641166
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -7.245
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: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -139.673748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.673748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.673748 (E_RNA)
where:
Base-Base interactions energy: -82.936
where: short stacking energy: -45.351
Base-Backbone interact. energy: -0.171
local terms energy: -56.567179
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -110.529702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.529702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.529702 (E_RNA)
where:
Base-Base interactions energy: -59.074
where: short stacking energy: -36.387
Base-Backbone interact. energy: -1.253
local terms energy: -50.203064
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -137.850236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.850236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.850236 (E_RNA)
where:
Base-Base interactions energy: -81.525
where: short stacking energy: -46.012
Base-Backbone interact. energy: -0.183
local terms energy: -56.142233
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -7.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -84.463037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.463037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.463037 (E_RNA)
where:
Base-Base interactions energy: -44.243
where: short stacking energy: -36.285
Base-Backbone interact. energy: -0.069
local terms energy: -40.150373
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -1.442
tors. eta vs tors. theta energy: -2.182
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: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -74.949121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.949121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.949121 (E_RNA)
where:
Base-Base interactions energy: -31.179
where: short stacking energy: -21.532
Base-Backbone interact. energy: -0.399
local terms energy: -43.370706
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: 3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -194.443645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.443645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.443645 (E_RNA)
where:
Base-Base interactions energy: -135.041
where: short stacking energy: -46.304
Base-Backbone interact. energy: -1.767
local terms energy: -57.635938
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -6.397
flat angles P-C4'-P energy: -10.318
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: 2, replica: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -204.904013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.904013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.904013 (E_RNA)
where:
Base-Base interactions energy: -142.851
where: short stacking energy: -59.487
Base-Backbone interact. energy: 0.018
local terms energy: -62.070358
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -8.417
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -186.699115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.699115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.699115 (E_RNA)
where:
Base-Base interactions energy: -119.954
where: short stacking energy: -60.141
Base-Backbone interact. energy: -0.288
local terms energy: -66.456790
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -183.926274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.926274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.926274 (E_RNA)
where:
Base-Base interactions energy: -120.675
where: short stacking energy: -62.419
Base-Backbone interact. energy: -0.346
local terms energy: -62.905190
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -9.192
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: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -103.554709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.554709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.554709 (E_RNA)
where:
Base-Base interactions energy: -50.513
where: short stacking energy: -45.876
Base-Backbone interact. energy: 1.253
local terms energy: -54.294988
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -8.213
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: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -95.630480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.630480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.630480 (E_RNA)
where:
Base-Base interactions energy: -33.899
where: short stacking energy: -33.332
Base-Backbone interact. energy: 2.084
local terms energy: -63.815578
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -9.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -135.177768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.177768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.177768 (E_RNA)
where:
Base-Base interactions energy: -78.046
where: short stacking energy: -41.464
Base-Backbone interact. energy: -0.252
local terms energy: -56.879617
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -9.007
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: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -84.420066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.420066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.420066 (E_RNA)
where:
Base-Base interactions energy: -32.725
where: short stacking energy: -23.622
Base-Backbone interact. energy: -0.205
local terms energy: -51.490105
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -86.213985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.213985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.213985 (E_RNA)
where:
Base-Base interactions energy: -32.945
where: short stacking energy: -31.696
Base-Backbone interact. energy: -0.373
local terms energy: -52.895837
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -79.533308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.533308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.533308 (E_RNA)
where:
Base-Base interactions energy: -34.669
where: short stacking energy: -24.854
Base-Backbone interact. energy: -0.546
local terms energy: -44.318310
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -212.026573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.026573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.026573 (E_RNA)
where:
Base-Base interactions energy: -144.900
where: short stacking energy: -59.818
Base-Backbone interact. energy: -0.625
local terms energy: -66.501558
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -200.997107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.997107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.997107 (E_RNA)
where:
Base-Base interactions energy: -134.695
where: short stacking energy: -54.445
Base-Backbone interact. energy: 0.530
local terms energy: -66.832070
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -184.053946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.053946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.053946 (E_RNA)
where:
Base-Base interactions energy: -121.480
where: short stacking energy: -60.200
Base-Backbone interact. energy: -0.230
local terms energy: -62.343938
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -9.733
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: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -185.070313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.070313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.070313 (E_RNA)
where:
Base-Base interactions energy: -120.533
where: short stacking energy: -56.003
Base-Backbone interact. energy: -0.088
local terms energy: -64.450222
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -8.717
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: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -120.166210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.166210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.166210 (E_RNA)
where:
Base-Base interactions energy: -67.739
where: short stacking energy: -50.328
Base-Backbone interact. energy: -1.882
local terms energy: -50.544809
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -8.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -96.994294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.994294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.994294 (E_RNA)
where:
Base-Base interactions energy: -37.423
where: short stacking energy: -35.263
Base-Backbone interact. energy: -0.013
local terms energy: -59.558580
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -9.730
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -7.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -94.689099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.689099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.689099 (E_RNA)
where:
Base-Base interactions energy: -35.887
where: short stacking energy: -35.887
Base-Backbone interact. energy: -0.150
local terms energy: -58.652404
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -86.566204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.566204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.566204 (E_RNA)
where:
Base-Base interactions energy: -39.559
where: short stacking energy: -34.349
Base-Backbone interact. energy: -0.749
local terms energy: -46.257846
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -7.600
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -93.341570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.341570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.341570 (E_RNA)
where:
Base-Base interactions energy: -41.462
where: short stacking energy: -40.848
Base-Backbone interact. energy: -0.063
local terms energy: -51.816848
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -73.288345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.288345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.288345 (E_RNA)
where:
Base-Base interactions energy: -26.736
where: short stacking energy: -23.365
Base-Backbone interact. energy: -0.186
local terms energy: -46.366013
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -7.894
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -1.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -209.939130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.939130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.939130 (E_RNA)
where:
Base-Base interactions energy: -140.547
where: short stacking energy: -56.971
Base-Backbone interact. energy: -0.628
local terms energy: -68.764192
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -181.436067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.436067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.436067 (E_RNA)
where:
Base-Base interactions energy: -121.275
where: short stacking energy: -61.602
Base-Backbone interact. energy: -0.058
local terms energy: -60.103238
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -10.215
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: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -190.940932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.940932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.940932 (E_RNA)
where:
Base-Base interactions energy: -129.739
where: short stacking energy: -54.123
Base-Backbone interact. energy: -1.653
local terms energy: -59.549292
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -179.673425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.673425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.673425 (E_RNA)
where:
Base-Base interactions energy: -110.007
where: short stacking energy: -63.084
Base-Backbone interact. energy: -0.022
local terms energy: -69.644339
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -15.519
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: 371
Temperature: 1.100000
Total energy: -115.869241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.869241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.869241 (E_RNA)
where:
Base-Base interactions energy: -59.351
where: short stacking energy: -46.953
Base-Backbone interact. energy: -0.091
local terms energy: -56.428140
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -8.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -94.150531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.150531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.150531 (E_RNA)
where:
Base-Base interactions energy: -43.463
where: short stacking energy: -42.176
Base-Backbone interact. energy: -0.503
local terms energy: -50.184080
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: 3.196
tors. eta vs tors. theta energy: -10.869
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: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -84.136506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.136506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.136506 (E_RNA)
where:
Base-Base interactions energy: -28.878
where: short stacking energy: -28.878
Base-Backbone interact. energy: -0.065
local terms energy: -55.193018
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -86.993000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.993000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.993000 (E_RNA)
where:
Base-Base interactions energy: -34.220
where: short stacking energy: -34.220
Base-Backbone interact. energy: -0.158
local terms energy: -52.615037
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -91.164447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.164447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.164447 (E_RNA)
where:
Base-Base interactions energy: -46.472
where: short stacking energy: -32.453
Base-Backbone interact. energy: -0.168
local terms energy: -44.524959
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -77.670047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.670047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.670047 (E_RNA)
where:
Base-Base interactions energy: -37.877
where: short stacking energy: -29.355
Base-Backbone interact. energy: -0.176
local terms energy: -39.616727
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -6.312
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -0.607
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: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -209.537516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.537516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.537516 (E_RNA)
where:
Base-Base interactions energy: -141.660
where: short stacking energy: -65.067
Base-Backbone interact. energy: -0.090
local terms energy: -67.787074
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -17.225
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: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -197.894662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.894662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.894662 (E_RNA)
where:
Base-Base interactions energy: -126.729
where: short stacking energy: -58.805
Base-Backbone interact. energy: -0.230
local terms energy: -70.935054
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -13.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -202.370299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.370299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.370299 (E_RNA)
where:
Base-Base interactions energy: -132.789
where: short stacking energy: -48.110
Base-Backbone interact. energy: -0.774
local terms energy: -68.807275
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -171.162779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.162779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.162779 (E_RNA)
where:
Base-Base interactions energy: -106.705
where: short stacking energy: -48.405
Base-Backbone interact. energy: -0.705
local terms energy: -63.752946
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -113.220418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.220418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.220418 (E_RNA)
where:
Base-Base interactions energy: -52.658
where: short stacking energy: -39.590
Base-Backbone interact. energy: -0.036
local terms energy: -60.526690
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -106.228051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.228051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.228051 (E_RNA)
where:
Base-Base interactions energy: -63.719
where: short stacking energy: -39.646
Base-Backbone interact. energy: -0.037
local terms energy: -42.471938
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -6.550
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -91.393045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.393045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.393045 (E_RNA)
where:
Base-Base interactions energy: -44.614
where: short stacking energy: -34.209
Base-Backbone interact. energy: 0.132
local terms energy: -46.911023
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -2.814
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: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -89.738542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.738542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.738542 (E_RNA)
where:
Base-Base interactions energy: -31.905
where: short stacking energy: -30.886
Base-Backbone interact. energy: -1.709
local terms energy: -56.125269
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -8.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -73.512846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.512846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.512846 (E_RNA)
where:
Base-Base interactions energy: -23.488
where: short stacking energy: -23.488
Base-Backbone interact. energy: -0.109
local terms energy: -49.915651
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -76.600612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.600612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.600612 (E_RNA)
where:
Base-Base interactions energy: -30.834
where: short stacking energy: -25.229
Base-Backbone interact. energy: -0.136
local terms energy: -45.630325
where:
bonds (distance) C4'-P energy: -6.415
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -209.476235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.476235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.476235 (E_RNA)
where:
Base-Base interactions energy: -142.248
where: short stacking energy: -54.284
Base-Backbone interact. energy: -0.112
local terms energy: -67.116928
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -203.807079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.807079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.807079 (E_RNA)
where:
Base-Base interactions energy: -139.223
where: short stacking energy: -50.187
Base-Backbone interact. energy: -1.548
local terms energy: -63.035721
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -8.275
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: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -194.556103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.556103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.556103 (E_RNA)
where:
Base-Base interactions energy: -125.157
where: short stacking energy: -61.169
Base-Backbone interact. energy: 2.113
local terms energy: -71.512728
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -10.750
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: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -172.624029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.624029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.624029 (E_RNA)
where:
Base-Base interactions energy: -108.115
where: short stacking energy: -57.035
Base-Backbone interact. energy: -0.002
local terms energy: -64.506389
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -97.957666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.957666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.957666 (E_RNA)
where:
Base-Base interactions energy: -42.265
where: short stacking energy: -42.265
Base-Backbone interact. energy: -0.012
local terms energy: -55.681073
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -106.851129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.851129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.851129 (E_RNA)
where:
Base-Base interactions energy: -45.115
where: short stacking energy: -45.115
Base-Backbone interact. energy: -0.031
local terms energy: -61.704722
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -11.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -135.289009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.289009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.289009 (E_RNA)
where:
Base-Base interactions energy: -86.006
where: short stacking energy: -40.408
Base-Backbone interact. energy: -0.270
local terms energy: -49.013216
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -7.864
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -89.587558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.587558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.587558 (E_RNA)
where:
Base-Base interactions energy: -36.611
where: short stacking energy: -36.611
Base-Backbone interact. energy: 0.886
local terms energy: -53.863205
where:
bonds (distance) C4'-P energy: -6.919
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -85.254563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.254563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.254563 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -31.014
Base-Backbone interact. energy: -0.114
local terms energy: -51.589138
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -85.296728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.296728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.296728 (E_RNA)
where:
Base-Base interactions energy: -35.438
where: short stacking energy: -35.438
Base-Backbone interact. energy: -0.900
local terms energy: -48.958816
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -202.329875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.329875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.329875 (E_RNA)
where:
Base-Base interactions energy: -145.929
where: short stacking energy: -58.234
Base-Backbone interact. energy: -0.020
local terms energy: -56.380299
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -14.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -197.286428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.286428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.286428 (E_RNA)
where:
Base-Base interactions energy: -136.607
where: short stacking energy: -56.418
Base-Backbone interact. energy: -0.555
local terms energy: -60.124629
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -185.648980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.648980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.648980 (E_RNA)
where:
Base-Base interactions energy: -118.379
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.121
local terms energy: -67.149317
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -177.448821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.448821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.448821 (E_RNA)
where:
Base-Base interactions energy: -115.676
where: short stacking energy: -52.752
Base-Backbone interact. energy: -0.035
local terms energy: -61.737600
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -100.610620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.610620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.610620 (E_RNA)
where:
Base-Base interactions energy: -35.174
where: short stacking energy: -35.174
Base-Backbone interact. energy: -0.086
local terms energy: -65.350927
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -104.362702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.362702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.362702 (E_RNA)
where:
Base-Base interactions energy: -48.131
where: short stacking energy: -46.637
Base-Backbone interact. energy: -0.045
local terms energy: -56.186684
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -129.995395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.995395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.995395 (E_RNA)
where:
Base-Base interactions energy: -76.705
where: short stacking energy: -37.760
Base-Backbone interact. energy: -0.572
local terms energy: -52.718210
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -83.739855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.739855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.739855 (E_RNA)
where:
Base-Base interactions energy: -37.940
where: short stacking energy: -29.375
Base-Backbone interact. energy: 1.830
local terms energy: -47.629309
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: 0.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -74.869772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.869772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.869772 (E_RNA)
where:
Base-Base interactions energy: -24.277
where: short stacking energy: -18.870
Base-Backbone interact. energy: -0.185
local terms energy: -50.407300
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -81.520479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.520479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.520479 (E_RNA)
where:
Base-Base interactions energy: -29.824
where: short stacking energy: -30.624
Base-Backbone interact. energy: 1.311
local terms energy: -53.008052
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -210.483423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.483423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.483423 (E_RNA)
where:
Base-Base interactions energy: -141.336
where: short stacking energy: -63.339
Base-Backbone interact. energy: -0.009
local terms energy: -69.139081
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -205.384208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.384208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.384208 (E_RNA)
where:
Base-Base interactions energy: -131.860
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.146
local terms energy: -73.378513
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -17.846
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: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -188.554796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.554796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.554796 (E_RNA)
where:
Base-Base interactions energy: -122.588
where: short stacking energy: -59.110
Base-Backbone interact. energy: -0.005
local terms energy: -65.961949
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -170.151362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.151362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.151362 (E_RNA)
where:
Base-Base interactions energy: -99.098
where: short stacking energy: -50.756
Base-Backbone interact. energy: -0.281
local terms energy: -70.772501
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -12.357
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: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -115.356601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.356601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.356601 (E_RNA)
where:
Base-Base interactions energy: -53.888
where: short stacking energy: -46.380
Base-Backbone interact. energy: -0.032
local terms energy: -61.436471
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -12.443
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: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -168.051364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.051364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.051364 (E_RNA)
where:
Base-Base interactions energy: -112.364
where: short stacking energy: -50.979
Base-Backbone interact. energy: -0.387
local terms energy: -55.299605
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -95.250378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.250378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.250378 (E_RNA)
where:
Base-Base interactions energy: -43.146
where: short stacking energy: -33.779
Base-Backbone interact. energy: -0.463
local terms energy: -51.640905
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -112.457016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.457016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.457016 (E_RNA)
where:
Base-Base interactions energy: -68.934
where: short stacking energy: -41.740
Base-Backbone interact. energy: -0.483
local terms energy: -43.040418
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -1.491
tors. eta vs tors. theta energy: -7.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -82.472593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.472593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.472593 (E_RNA)
where:
Base-Base interactions energy: -33.314
where: short stacking energy: -25.070
Base-Backbone interact. energy: -1.228
local terms energy: -47.930106
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: 2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -76.299991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.299991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.299991 (E_RNA)
where:
Base-Base interactions energy: -30.695
where: short stacking energy: -17.941
Base-Backbone interact. energy: 1.479
local terms energy: -47.083159
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: 6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -197.506667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.506667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.506667 (E_RNA)
where:
Base-Base interactions energy: -127.524
where: short stacking energy: -59.488
Base-Backbone interact. energy: -0.065
local terms energy: -69.917990
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -7.761
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: 2, replica: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -209.855082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.855082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.855082 (E_RNA)
where:
Base-Base interactions energy: -139.670
where: short stacking energy: -59.786
Base-Backbone interact. energy: -0.017
local terms energy: -70.167569
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -182.739952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.739952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.739952 (E_RNA)
where:
Base-Base interactions energy: -116.015
where: short stacking energy: -52.914
Base-Backbone interact. energy: -0.020
local terms energy: -66.704865
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -13.437
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: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -172.415510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.415510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.415510 (E_RNA)
where:
Base-Base interactions energy: -111.045
where: short stacking energy: -55.750
Base-Backbone interact. energy: -0.053
local terms energy: -61.317865
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -12.132
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: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -165.761321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.761321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.761321 (E_RNA)
where:
Base-Base interactions energy: -98.304
where: short stacking energy: -55.147
Base-Backbone interact. energy: -0.157
local terms energy: -67.300005
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -3.171
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -102.486322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.486322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.486322 (E_RNA)
where:
Base-Base interactions energy: -45.436
where: short stacking energy: -33.900
Base-Backbone interact. energy: -0.034
local terms energy: -57.016933
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -5.126
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: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -116.119516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.119516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.119516 (E_RNA)
where:
Base-Base interactions energy: -61.654
where: short stacking energy: -38.431
Base-Backbone interact. energy: 0.724
local terms energy: -55.189680
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -109.077951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.077951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.077951 (E_RNA)
where:
Base-Base interactions energy: -52.544
where: short stacking energy: -38.978
Base-Backbone interact. energy: -0.809
local terms energy: -55.724824
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -7.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -79.784143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.784143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.784143 (E_RNA)
where:
Base-Base interactions energy: -36.002
where: short stacking energy: -35.596
Base-Backbone interact. energy: -0.399
local terms energy: -43.383465
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -1.762
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: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -83.718695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.718695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.718695 (E_RNA)
where:
Base-Base interactions energy: -32.430
where: short stacking energy: -32.228
Base-Backbone interact. energy: -0.138
local terms energy: -51.150636
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -204.190818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.190818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.190818 (E_RNA)
where:
Base-Base interactions energy: -126.989
where: short stacking energy: -66.994
Base-Backbone interact. energy: -0.059
local terms energy: -77.143439
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -20.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -203.653537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.653537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.653537 (E_RNA)
where:
Base-Base interactions energy: -131.712
where: short stacking energy: -62.315
Base-Backbone interact. energy: 0.779
local terms energy: -72.721032
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -8.804
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: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -172.960437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.960437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.960437 (E_RNA)
where:
Base-Base interactions energy: -100.522
where: short stacking energy: -62.576
Base-Backbone interact. energy: -0.096
local terms energy: -72.342520
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -164.845089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.845089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.845089 (E_RNA)
where:
Base-Base interactions energy: -98.611
where: short stacking energy: -50.099
Base-Backbone interact. energy: -0.023
local terms energy: -66.211242
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -13.018
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: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -174.666662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.666662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.666662 (E_RNA)
where:
Base-Base interactions energy: -95.386
where: short stacking energy: -56.245
Base-Backbone interact. energy: -0.455
local terms energy: -78.825742
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -13.664
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: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -109.880175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.880175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.880175 (E_RNA)
where:
Base-Base interactions energy: -52.588
where: short stacking energy: -26.820
Base-Backbone interact. energy: -0.702
local terms energy: -56.590706
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -9.042
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -93.955958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.955958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.955958 (E_RNA)
where:
Base-Base interactions energy: -41.226
where: short stacking energy: -38.665
Base-Backbone interact. energy: -0.124
local terms energy: -52.606141
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -91.601215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.601215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.601215 (E_RNA)
where:
Base-Base interactions energy: -39.715
where: short stacking energy: -38.046
Base-Backbone interact. energy: -0.030
local terms energy: -51.856374
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -7.841
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: 9, replica: 2
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -86.760165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.760165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.760165 (E_RNA)
where:
Base-Base interactions energy: -35.097
where: short stacking energy: -32.129
Base-Backbone interact. energy: -0.086
local terms energy: -51.576869
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -1.400
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: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -83.307613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.307613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.307613 (E_RNA)
where:
Base-Base interactions energy: -42.105
where: short stacking energy: -24.991
Base-Backbone interact. energy: 1.406
local terms energy: -42.608780
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -204.864087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.864087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.864087 (E_RNA)
where:
Base-Base interactions energy: -136.828
where: short stacking energy: -62.558
Base-Backbone interact. energy: -0.110
local terms energy: -67.925577
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -195.263845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.263845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.263845 (E_RNA)
where:
Base-Base interactions energy: -124.889
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.334
local terms energy: -70.040570
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -173.891078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.891078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.891078 (E_RNA)
where:
Base-Base interactions energy: -114.680
where: short stacking energy: -57.385
Base-Backbone interact. energy: -0.041
local terms energy: -59.170543
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -11.218
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: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -164.028749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.028749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.028749 (E_RNA)
where:
Base-Base interactions energy: -100.709
where: short stacking energy: -61.066
Base-Backbone interact. energy: 0.813
local terms energy: -64.132145
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -10.861
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -176.536107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.536107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.536107 (E_RNA)
where:
Base-Base interactions energy: -111.180
where: short stacking energy: -47.707
Base-Backbone interact. energy: -0.360
local terms energy: -64.996461
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -12.192
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: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -94.084452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.084452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.084452 (E_RNA)
where:
Base-Base interactions energy: -48.589
where: short stacking energy: -23.984
Base-Backbone interact. energy: -0.466
local terms energy: -45.030275
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: 0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -117.321504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.321504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.321504 (E_RNA)
where:
Base-Base interactions energy: -60.913
where: short stacking energy: -28.382
Base-Backbone interact. energy: -0.086
local terms energy: -56.322677
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -4.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -97.287518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.287518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.287518 (E_RNA)
where:
Base-Base interactions energy: -54.475
where: short stacking energy: -33.463
Base-Backbone interact. energy: 1.908
local terms energy: -44.720909
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -86.269999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.269999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.269999 (E_RNA)
where:
Base-Base interactions energy: -51.806
where: short stacking energy: -31.056
Base-Backbone interact. energy: 1.670
local terms energy: -36.134160
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: 0.750
tors. eta vs tors. theta energy: -2.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -100.163264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.163264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.163264 (E_RNA)
where:
Base-Base interactions energy: -49.745
where: short stacking energy: -34.419
Base-Backbone interact. energy: -0.614
local terms energy: -49.804787
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -203.534559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.534559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.534559 (E_RNA)
where:
Base-Base interactions energy: -137.331
where: short stacking energy: -46.442
Base-Backbone interact. energy: -0.344
local terms energy: -65.859481
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -14.044
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: 9
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -188.686292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.686292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.686292 (E_RNA)
where:
Base-Base interactions energy: -117.803
where: short stacking energy: -70.259
Base-Backbone interact. energy: -1.430
local terms energy: -69.453196
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -174.747654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.747654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.747654 (E_RNA)
where:
Base-Base interactions energy: -107.249
where: short stacking energy: -51.716
Base-Backbone interact. energy: -0.749
local terms energy: -66.749873
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -184.759667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.759667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.759667 (E_RNA)
where:
Base-Base interactions energy: -127.227
where: short stacking energy: -70.345
Base-Backbone interact. energy: -0.002
local terms energy: -57.530949
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -8.503
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -9.649
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: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -169.175777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.175777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.175777 (E_RNA)
where:
Base-Base interactions energy: -105.960
where: short stacking energy: -52.947
Base-Backbone interact. energy: -0.023
local terms energy: -63.192608
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -127.882604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.882604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.882604 (E_RNA)
where:
Base-Base interactions energy: -64.283
where: short stacking energy: -41.957
Base-Backbone interact. energy: -0.014
local terms energy: -63.585427
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -96.126482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.126482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.126482 (E_RNA)
where:
Base-Base interactions energy: -43.940
where: short stacking energy: -25.328
Base-Backbone interact. energy: -0.312
local terms energy: -51.874762
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -6.159
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -7.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -105.666440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.666440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.666440 (E_RNA)
where:
Base-Base interactions energy: -58.857
where: short stacking energy: -24.788
Base-Backbone interact. energy: -0.402
local terms energy: -46.407225
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -82.921102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.921102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.921102 (E_RNA)
where:
Base-Base interactions energy: -41.744
where: short stacking energy: -26.898
Base-Backbone interact. energy: 0.421
local terms energy: -41.598168
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: 2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -86.859333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.859333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.859333 (E_RNA)
where:
Base-Base interactions energy: -40.649
where: short stacking energy: -35.300
Base-Backbone interact. energy: 1.198
local terms energy: -47.408115
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -204.270063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.270063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.270063 (E_RNA)
where:
Base-Base interactions energy: -130.557
where: short stacking energy: -77.703
Base-Backbone interact. energy: -0.005
local terms energy: -73.708025
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -16.694
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: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -195.379213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.379213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.379213 (E_RNA)
where:
Base-Base interactions energy: -129.575
where: short stacking energy: -48.018
Base-Backbone interact. energy: -0.361
local terms energy: -65.443445
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -187.883214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.883214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.883214 (E_RNA)
where:
Base-Base interactions energy: -117.061
where: short stacking energy: -56.239
Base-Backbone interact. energy: -1.235
local terms energy: -69.587139
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -174.475694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.475694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.475694 (E_RNA)
where:
Base-Base interactions energy: -110.445
where: short stacking energy: -41.370
Base-Backbone interact. energy: -0.041
local terms energy: -63.989648
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -184.108158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.108158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.108158 (E_RNA)
where:
Base-Base interactions energy: -116.521
where: short stacking energy: -63.382
Base-Backbone interact. energy: -0.177
local terms energy: -67.410030
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -8.931
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: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -100.192651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.192651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.192651 (E_RNA)
where:
Base-Base interactions energy: -40.152
where: short stacking energy: -25.098
Base-Backbone interact. energy: -0.219
local terms energy: -59.821431
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -93.644155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.644155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.644155 (E_RNA)
where:
Base-Base interactions energy: -43.380
where: short stacking energy: -39.226
Base-Backbone interact. energy: 0.032
local terms energy: -50.296685
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -84.976318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.976318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.976318 (E_RNA)
where:
Base-Base interactions energy: -34.133
where: short stacking energy: -31.878
Base-Backbone interact. energy: -0.278
local terms energy: -50.565015
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -79.039248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.039248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.039248 (E_RNA)
where:
Base-Base interactions energy: -30.474
where: short stacking energy: -30.388
Base-Backbone interact. energy: -0.039
local terms energy: -48.527079
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -1.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -73.954426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.954426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.954426 (E_RNA)
where:
Base-Base interactions energy: -25.451
where: short stacking energy: -25.451
Base-Backbone interact. energy: -0.235
local terms energy: -48.268761
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: 0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -199.709383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.709383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.709383 (E_RNA)
where:
Base-Base interactions energy: -122.050
where: short stacking energy: -62.976
Base-Backbone interact. energy: -0.030
local terms energy: -77.629462
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -186.490196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.490196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.490196 (E_RNA)
where:
Base-Base interactions energy: -123.358
where: short stacking energy: -54.460
Base-Backbone interact. energy: -0.120
local terms energy: -63.012069
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -189.385635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.385635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.385635 (E_RNA)
where:
Base-Base interactions energy: -124.760
where: short stacking energy: -52.745
Base-Backbone interact. energy: -0.007
local terms energy: -64.618507
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -10.500
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: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -179.418110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.418110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.418110 (E_RNA)
where:
Base-Base interactions energy: -111.509
where: short stacking energy: -59.122
Base-Backbone interact. energy: -0.015
local terms energy: -67.894561
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -184.610817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.610817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.610817 (E_RNA)
where:
Base-Base interactions energy: -115.980
where: short stacking energy: -55.266
Base-Backbone interact. energy: -0.178
local terms energy: -68.452272
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -12.616
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: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -98.899087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.899087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.899087 (E_RNA)
where:
Base-Base interactions energy: -40.120
where: short stacking energy: -40.120
Base-Backbone interact. energy: -0.120
local terms energy: -58.659539
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -93.333631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.333631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.333631 (E_RNA)
where:
Base-Base interactions energy: -44.643
where: short stacking energy: -25.568
Base-Backbone interact. energy: 0.896
local terms energy: -49.586110
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -96.116575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.116575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.116575 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -37.743
Base-Backbone interact. energy: -0.074
local terms energy: -54.971923
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -94.895478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.895478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.895478 (E_RNA)
where:
Base-Base interactions energy: -51.187
where: short stacking energy: -21.953
Base-Backbone interact. energy: -1.018
local terms energy: -42.690174
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -8.607
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -88.969853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.969853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.969853 (E_RNA)
where:
Base-Base interactions energy: -34.113
where: short stacking energy: -31.683
Base-Backbone interact. energy: -0.008
local terms energy: -54.849329
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -9.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -195.806946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.806946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.806946 (E_RNA)
where:
Base-Base interactions energy: -124.215
where: short stacking energy: -54.863
Base-Backbone interact. energy: -0.089
local terms energy: -71.503003
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -192.834759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.834759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.834759 (E_RNA)
where:
Base-Base interactions energy: -120.163
where: short stacking energy: -67.659
Base-Backbone interact. energy: -0.961
local terms energy: -71.710968
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -183.263294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.263294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.263294 (E_RNA)
where:
Base-Base interactions energy: -114.774
where: short stacking energy: -59.187
Base-Backbone interact. energy: 0.297
local terms energy: -68.786597
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -6.364
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: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -181.496921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.496921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.496921 (E_RNA)
where:
Base-Base interactions energy: -115.743
where: short stacking energy: -50.611
Base-Backbone interact. energy: -0.140
local terms energy: -65.614355
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -11.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -171.975727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.975727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.975727 (E_RNA)
where:
Base-Base interactions energy: -100.831
where: short stacking energy: -54.747
Base-Backbone interact. energy: 0.893
local terms energy: -72.037740
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -98.654919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.654919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.654919 (E_RNA)
where:
Base-Base interactions energy: -41.644
where: short stacking energy: -38.387
Base-Backbone interact. energy: -0.006
local terms energy: -57.005012
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -6.625
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: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -96.853382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.853382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.853382 (E_RNA)
where:
Base-Base interactions energy: -38.684
where: short stacking energy: -38.567
Base-Backbone interact. energy: -0.013
local terms energy: -58.156015
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -7.697
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: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -93.673211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.673211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.673211 (E_RNA)
where:
Base-Base interactions energy: -45.319
where: short stacking energy: -38.139
Base-Backbone interact. energy: -0.087
local terms energy: -48.267198
where:
bonds (distance) C4'-P energy: -8.878
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -77.254670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.254670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.254670 (E_RNA)
where:
Base-Base interactions energy: -26.873
where: short stacking energy: -26.873
Base-Backbone interact. energy: 0.080
local terms energy: -50.462337
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -76.472031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.472031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.472031 (E_RNA)
where:
Base-Base interactions energy: -37.320
where: short stacking energy: -35.666
Base-Backbone interact. energy: -0.034
local terms energy: -39.118290
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -194.208215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.208215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.208215 (E_RNA)
where:
Base-Base interactions energy: -125.275
where: short stacking energy: -63.545
Base-Backbone interact. energy: -0.024
local terms energy: -68.909361
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -12.178
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: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -195.801115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.801115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.801115 (E_RNA)
where:
Base-Base interactions energy: -130.122
where: short stacking energy: -59.784
Base-Backbone interact. energy: -0.091
local terms energy: -65.588446
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -9.740
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: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -176.702652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.702652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.702652 (E_RNA)
where:
Base-Base interactions energy: -105.727
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.157
local terms energy: -70.819101
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -11.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -181.694998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.694998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.694998 (E_RNA)
where:
Base-Base interactions energy: -121.853
where: short stacking energy: -67.119
Base-Backbone interact. energy: 1.167
local terms energy: -61.008980
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -16.465
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: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -151.018235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.018235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.018235 (E_RNA)
where:
Base-Base interactions energy: -94.166
where: short stacking energy: -41.185
Base-Backbone interact. energy: -0.016
local terms energy: -56.836308
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -6.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -102.855851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.855851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.855851 (E_RNA)
where:
Base-Base interactions energy: -39.777
where: short stacking energy: -37.074
Base-Backbone interact. energy: -0.135
local terms energy: -62.944119
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -10.552
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: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -85.321705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.321705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.321705 (E_RNA)
where:
Base-Base interactions energy: -32.140
where: short stacking energy: -21.742
Base-Backbone interact. energy: -0.199
local terms energy: -52.983116
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -88.303594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.303594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.303594 (E_RNA)
where:
Base-Base interactions energy: -35.058
where: short stacking energy: -29.489
Base-Backbone interact. energy: -0.588
local terms energy: -52.657861
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -8.876
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -80.048328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.048328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.048328 (E_RNA)
where:
Base-Base interactions energy: -31.272
where: short stacking energy: -24.582
Base-Backbone interact. energy: -0.091
local terms energy: -48.686188
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -7.224
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -78.828466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.828466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.828466 (E_RNA)
where:
Base-Base interactions energy: -28.779
where: short stacking energy: -17.909
Base-Backbone interact. energy: 2.224
local terms energy: -52.273681
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: 1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -203.590267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.590267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.590267 (E_RNA)
where:
Base-Base interactions energy: -126.664
where: short stacking energy: -64.885
Base-Backbone interact. energy: -0.002
local terms energy: -76.923725
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -13.111
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: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -187.410003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.410003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.410003 (E_RNA)
where:
Base-Base interactions energy: -121.091
where: short stacking energy: -64.692
Base-Backbone interact. energy: -0.007
local terms energy: -66.312366
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -16.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -185.147902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.147902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.147902 (E_RNA)
where:
Base-Base interactions energy: -114.245
where: short stacking energy: -55.780
Base-Backbone interact. energy: 0.204
local terms energy: -71.106466
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -17.736
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: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -163.272135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.272135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.272135 (E_RNA)
where:
Base-Base interactions energy: -109.478
where: short stacking energy: -45.313
Base-Backbone interact. energy: 0.063
local terms energy: -53.857133
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -168.613205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.613205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.613205 (E_RNA)
where:
Base-Base interactions energy: -105.626
where: short stacking energy: -61.401
Base-Backbone interact. energy: 0.951
local terms energy: -63.938253
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -89.425556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.425556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.425556 (E_RNA)
where:
Base-Base interactions energy: -32.798
where: short stacking energy: -32.798
Base-Backbone interact. energy: -0.067
local terms energy: -56.560884
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -9.634
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: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -89.310381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.310381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.310381 (E_RNA)
where:
Base-Base interactions energy: -44.430
where: short stacking energy: -44.430
Base-Backbone interact. energy: -0.136
local terms energy: -44.743943
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -6.954
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -2.168
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -89.484595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.484595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.484595 (E_RNA)
where:
Base-Base interactions energy: -38.684
where: short stacking energy: -30.080
Base-Backbone interact. energy: 0.727
local terms energy: -51.527271
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -81.462937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.462937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.462937 (E_RNA)
where:
Base-Base interactions energy: -34.129
where: short stacking energy: -32.258
Base-Backbone interact. energy: -0.997
local terms energy: -46.337557
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -83.188470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.188470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.188470 (E_RNA)
where:
Base-Base interactions energy: -38.321
where: short stacking energy: -26.875
Base-Backbone interact. energy: -0.197
local terms energy: -44.670189
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -205.833073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.833073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.833073 (E_RNA)
where:
Base-Base interactions energy: -134.252
where: short stacking energy: -69.294
Base-Backbone interact. energy: -0.055
local terms energy: -71.525576
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -202.087674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.087674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.087674 (E_RNA)
where:
Base-Base interactions energy: -134.316
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.091
local terms energy: -67.680705
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -162.951726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.951726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.951726 (E_RNA)
where:
Base-Base interactions energy: -94.996
where: short stacking energy: -54.353
Base-Backbone interact. energy: -0.071
local terms energy: -67.885637
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -200.061980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.061980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.061980 (E_RNA)
where:
Base-Base interactions energy: -134.411
where: short stacking energy: -68.001
Base-Backbone interact. energy: -0.009
local terms energy: -65.642049
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -170.023027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.023027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.023027 (E_RNA)
where:
Base-Base interactions energy: -110.660
where: short stacking energy: -55.422
Base-Backbone interact. energy: -0.372
local terms energy: -58.991474
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -8.011
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: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -102.352436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.352436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.352436 (E_RNA)
where:
Base-Base interactions energy: -46.724
where: short stacking energy: -40.569
Base-Backbone interact. energy: -0.028
local terms energy: -55.600658
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: -5.169
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: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -97.853692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.853692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.853692 (E_RNA)
where:
Base-Base interactions energy: -38.662
where: short stacking energy: -38.299
Base-Backbone interact. energy: -0.004
local terms energy: -59.187748
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -8.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -92.679015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.679015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.679015 (E_RNA)
where:
Base-Base interactions energy: -31.467
where: short stacking energy: -30.509
Base-Backbone interact. energy: -0.546
local terms energy: -60.665854
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -3.168
tors. eta vs tors. theta energy: -8.196
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: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -84.768341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.768341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.768341 (E_RNA)
where:
Base-Base interactions energy: -28.437
where: short stacking energy: -26.171
Base-Backbone interact. energy: 0.518
local terms energy: -56.849568
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -78.249293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.249293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.249293 (E_RNA)
where:
Base-Base interactions energy: -27.001
where: short stacking energy: -26.529
Base-Backbone interact. energy: -0.202
local terms energy: -51.046121
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -206.500303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.500303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.500303 (E_RNA)
where:
Base-Base interactions energy: -139.814
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.203
local terms energy: -66.483807
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -8.092
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: 2, replica: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -208.631951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.631951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.631951 (E_RNA)
where:
Base-Base interactions energy: -132.999
where: short stacking energy: -62.208
Base-Backbone interact. energy: -0.255
local terms energy: -75.377566
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -16.479
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: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -178.565603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.565603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.565603 (E_RNA)
where:
Base-Base interactions energy: -115.379
where: short stacking energy: -48.207
Base-Backbone interact. energy: -0.144
local terms energy: -63.043008
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -9.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -190.897081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.897081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.897081 (E_RNA)
where:
Base-Base interactions energy: -127.580
where: short stacking energy: -59.605
Base-Backbone interact. energy: -0.617
local terms energy: -62.700213
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -160.017296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.017296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.017296 (E_RNA)
where:
Base-Base interactions energy: -95.103
where: short stacking energy: -47.500
Base-Backbone interact. energy: -0.474
local terms energy: -64.440780
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -8.242
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: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -94.155270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.155270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.155270 (E_RNA)
where:
Base-Base interactions energy: -56.115
where: short stacking energy: -21.381
Base-Backbone interact. energy: -0.300
local terms energy: -37.740498
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: 5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -90.747701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.747701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.747701 (E_RNA)
where:
Base-Base interactions energy: -48.601
where: short stacking energy: -41.573
Base-Backbone interact. energy: -0.172
local terms energy: -41.974328
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -9.481
flat angles C4'-P-C4' energy: -9.182
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -6.587
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: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -93.310411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.310411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.310411 (E_RNA)
where:
Base-Base interactions energy: -38.143
where: short stacking energy: -38.143
Base-Backbone interact. energy: -0.000
local terms energy: -55.167146
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -104.402566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.402566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.402566 (E_RNA)
where:
Base-Base interactions energy: -48.785
where: short stacking energy: -48.785
Base-Backbone interact. energy: -0.062
local terms energy: -55.556031
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -81.401439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.401439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.401439 (E_RNA)
where:
Base-Base interactions energy: -32.595
where: short stacking energy: -23.067
Base-Backbone interact. energy: -0.679
local terms energy: -48.128057
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -7.833
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -213.779261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.779261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.779261 (E_RNA)
where:
Base-Base interactions energy: -140.512
where: short stacking energy: -57.848
Base-Backbone interact. energy: -0.132
local terms energy: -73.135372
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -195.296153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.296153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.296153 (E_RNA)
where:
Base-Base interactions energy: -131.767
where: short stacking energy: -55.966
Base-Backbone interact. energy: -0.025
local terms energy: -63.503809
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -195.755344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.755344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.755344 (E_RNA)
where:
Base-Base interactions energy: -124.041
where: short stacking energy: -68.092
Base-Backbone interact. energy: 1.786
local terms energy: -73.499690
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -11.701
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: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -193.289668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.289668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.289668 (E_RNA)
where:
Base-Base interactions energy: -132.647
where: short stacking energy: -53.479
Base-Backbone interact. energy: -0.192
local terms energy: -60.450386
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -168.586832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.586832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.586832 (E_RNA)
where:
Base-Base interactions energy: -111.017
where: short stacking energy: -56.661
Base-Backbone interact. energy: -0.743
local terms energy: -56.827025
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: 0.655
tors. eta vs tors. theta energy: -16.971
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: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -100.058959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.058959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.058959 (E_RNA)
where:
Base-Base interactions energy: -47.160
where: short stacking energy: -31.662
Base-Backbone interact. energy: -0.252
local terms energy: -52.647089
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -100.116063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.116063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.116063 (E_RNA)
where:
Base-Base interactions energy: -44.801
where: short stacking energy: -41.047
Base-Backbone interact. energy: -0.123
local terms energy: -55.192346
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -5.796
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: 8, replica: 3
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -84.420457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.420457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.420457 (E_RNA)
where:
Base-Base interactions energy: -38.867
where: short stacking energy: -22.189
Base-Backbone interact. energy: -0.056
local terms energy: -45.498137
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -84.915063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.915063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.915063 (E_RNA)
where:
Base-Base interactions energy: -35.754
where: short stacking energy: -34.264
Base-Backbone interact. energy: -0.133
local terms energy: -49.028252
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -77.893355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.893355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.893355 (E_RNA)
where:
Base-Base interactions energy: -22.631
where: short stacking energy: -22.631
Base-Backbone interact. energy: -0.117
local terms energy: -55.144931
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -201.914768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.914768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.914768 (E_RNA)
where:
Base-Base interactions energy: -135.002
where: short stacking energy: -59.661
Base-Backbone interact. energy: -0.106
local terms energy: -66.806644
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -13.085
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: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -206.449599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.449599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.449599 (E_RNA)
where:
Base-Base interactions energy: -133.733
where: short stacking energy: -55.243
Base-Backbone interact. energy: -0.319
local terms energy: -72.398151
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -196.341623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.341623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.341623 (E_RNA)
where:
Base-Base interactions energy: -136.111
where: short stacking energy: -49.948
Base-Backbone interact. energy: -1.386
local terms energy: -58.844205
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -13.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -188.056427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.056427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.056427 (E_RNA)
where:
Base-Base interactions energy: -127.345
where: short stacking energy: -51.357
Base-Backbone interact. energy: -0.233
local terms energy: -60.478301
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -10.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -164.776615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.776615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.776615 (E_RNA)
where:
Base-Base interactions energy: -105.465
where: short stacking energy: -48.021
Base-Backbone interact. energy: -0.112
local terms energy: -59.199385
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -14.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -107.402344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.402344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.402344 (E_RNA)
where:
Base-Base interactions energy: -43.855
where: short stacking energy: -35.944
Base-Backbone interact. energy: -0.195
local terms energy: -63.352101
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -8.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -95.776781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.776781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.776781 (E_RNA)
where:
Base-Base interactions energy: -45.942
where: short stacking energy: -41.732
Base-Backbone interact. energy: -0.178
local terms energy: -49.657219
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -9.022
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -91.031347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.031347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.031347 (E_RNA)
where:
Base-Base interactions energy: -45.246
where: short stacking energy: -29.721
Base-Backbone interact. energy: -1.248
local terms energy: -44.537417
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -3.934
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: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -82.186770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.186770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.186770 (E_RNA)
where:
Base-Base interactions energy: -37.098
where: short stacking energy: -31.151
Base-Backbone interact. energy: -0.040
local terms energy: -45.048766
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -77.433302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.433302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.433302 (E_RNA)
where:
Base-Base interactions energy: -25.479
where: short stacking energy: -25.479
Base-Backbone interact. energy: -0.157
local terms energy: -51.797070
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -187.777453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.777453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.777453 (E_RNA)
where:
Base-Base interactions energy: -125.133
where: short stacking energy: -52.770
Base-Backbone interact. energy: -1.795
local terms energy: -60.849171
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -11.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -200.347041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.347041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.347041 (E_RNA)
where:
Base-Base interactions energy: -132.277
where: short stacking energy: -60.005
Base-Backbone interact. energy: -0.123
local terms energy: -67.947466
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -10.596
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: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -170.705948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.705948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.705948 (E_RNA)
where:
Base-Base interactions energy: -104.874
where: short stacking energy: -46.897
Base-Backbone interact. energy: -0.768
local terms energy: -65.064412
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -10.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -177.896730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.896730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.896730 (E_RNA)
where:
Base-Base interactions energy: -112.888
where: short stacking energy: -51.128
Base-Backbone interact. energy: -0.323
local terms energy: -64.685687
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -168.866779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.866779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.866779 (E_RNA)
where:
Base-Base interactions energy: -102.725
where: short stacking energy: -52.452
Base-Backbone interact. energy: -0.221
local terms energy: -65.920204
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -123.835459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.835459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.835459 (E_RNA)
where:
Base-Base interactions energy: -57.617
where: short stacking energy: -49.029
Base-Backbone interact. energy: -1.405
local terms energy: -64.813129
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -12.123
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: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -100.560305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.560305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.560305 (E_RNA)
where:
Base-Base interactions energy: -51.852
where: short stacking energy: -51.852
Base-Backbone interact. energy: -0.002
local terms energy: -48.705935
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -1.655
tors. eta vs tors. theta energy: -9.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -84.262083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.262083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.262083 (E_RNA)
where:
Base-Base interactions energy: -33.836
where: short stacking energy: -27.966
Base-Backbone interact. energy: -0.359
local terms energy: -50.067914
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -7.972
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -6.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -87.993065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.993065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.993065 (E_RNA)
where:
Base-Base interactions energy: -33.457
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.059
local terms energy: -54.477046
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -82.690739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.690739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.690739 (E_RNA)
where:
Base-Base interactions energy: -31.659
where: short stacking energy: -24.218
Base-Backbone interact. energy: 1.568
local terms energy: -52.599043
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -7.925
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -200.348012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.348012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.348012 (E_RNA)
where:
Base-Base interactions energy: -124.030
where: short stacking energy: -65.564
Base-Backbone interact. energy: -0.073
local terms energy: -76.244700
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -10.310
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: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -188.364936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.364936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.364936 (E_RNA)
where:
Base-Base interactions energy: -125.203
where: short stacking energy: -64.185
Base-Backbone interact. energy: -0.011
local terms energy: -63.150877
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -181.348061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.348061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.348061 (E_RNA)
where:
Base-Base interactions energy: -110.142
where: short stacking energy: -50.005
Base-Backbone interact. energy: 0.319
local terms energy: -71.525000
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -12.735
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: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -188.329529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.329529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.329529 (E_RNA)
where:
Base-Base interactions energy: -125.211
where: short stacking energy: -51.768
Base-Backbone interact. energy: -1.116
local terms energy: -62.003307
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -11.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -158.327891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.327891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.327891 (E_RNA)
where:
Base-Base interactions energy: -94.881
where: short stacking energy: -37.282
Base-Backbone interact. energy: 1.610
local terms energy: -65.057045
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -102.541509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.541509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.541509 (E_RNA)
where:
Base-Base interactions energy: -41.585
where: short stacking energy: -39.889
Base-Backbone interact. energy: 0.409
local terms energy: -61.365965
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -112.743513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.743513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.743513 (E_RNA)
where:
Base-Base interactions energy: -49.595
where: short stacking energy: -47.068
Base-Backbone interact. energy: -0.004
local terms energy: -63.144159
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -11.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -82.566376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.566376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.566376 (E_RNA)
where:
Base-Base interactions energy: -36.139
where: short stacking energy: -36.139
Base-Backbone interact. energy: -0.326
local terms energy: -46.100808
where:
bonds (distance) C4'-P energy: -4.421
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -78.732021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.732021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.732021 (E_RNA)
where:
Base-Base interactions energy: -29.204
where: short stacking energy: -29.204
Base-Backbone interact. energy: -0.390
local terms energy: -49.138024
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -74.672339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.672339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.672339 (E_RNA)
where:
Base-Base interactions energy: -19.624
where: short stacking energy: -19.624
Base-Backbone interact. energy: -0.003
local terms energy: -55.045646
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -212.372288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.372288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.372288 (E_RNA)
where:
Base-Base interactions energy: -144.610
where: short stacking energy: -61.510
Base-Backbone interact. energy: -1.555
local terms energy: -66.207766
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -201.408400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.408400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.408400 (E_RNA)
where:
Base-Base interactions energy: -132.163
where: short stacking energy: -61.058
Base-Backbone interact. energy: -0.102
local terms energy: -69.142943
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -174.149565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.149565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.149565 (E_RNA)
where:
Base-Base interactions energy: -104.730
where: short stacking energy: -51.094
Base-Backbone interact. energy: -0.111
local terms energy: -69.307844
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -14.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -196.838153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.838153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.838153 (E_RNA)
where:
Base-Base interactions energy: -132.721
where: short stacking energy: -55.268
Base-Backbone interact. energy: -1.436
local terms energy: -62.681385
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -158.454872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.454872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.454872 (E_RNA)
where:
Base-Base interactions energy: -95.318
where: short stacking energy: -46.573
Base-Backbone interact. energy: -0.332
local terms energy: -62.805822
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -9.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -96.730662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.730662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.730662 (E_RNA)
where:
Base-Base interactions energy: -41.754
where: short stacking energy: -31.290
Base-Backbone interact. energy: 1.110
local terms energy: -56.086116
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -92.667322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.667322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.667322 (E_RNA)
where:
Base-Base interactions energy: -31.759
where: short stacking energy: -20.719
Base-Backbone interact. energy: 0.991
local terms energy: -61.899847
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -80.731181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.731181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.731181 (E_RNA)
where:
Base-Base interactions energy: -30.967
where: short stacking energy: -22.958
Base-Backbone interact. energy: -0.131
local terms energy: -49.633348
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: 2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -71.868788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.868788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.868788 (E_RNA)
where:
Base-Base interactions energy: -28.280
where: short stacking energy: -28.280
Base-Backbone interact. energy: -0.512
local terms energy: -43.076562
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: 3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -75.858944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.858944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.858944 (E_RNA)
where:
Base-Base interactions energy: -29.491
where: short stacking energy: -26.941
Base-Backbone interact. energy: -0.151
local terms energy: -46.217834
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -204.528831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.528831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.528831 (E_RNA)
where:
Base-Base interactions energy: -131.799
where: short stacking energy: -68.138
Base-Backbone interact. energy: -0.096
local terms energy: -72.633663
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -187.387607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.387607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.387607 (E_RNA)
where:
Base-Base interactions energy: -112.607
where: short stacking energy: -62.453
Base-Backbone interact. energy: -0.112
local terms energy: -74.668233
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -19.558
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: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -187.855686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.855686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.855686 (E_RNA)
where:
Base-Base interactions energy: -127.133
where: short stacking energy: -51.707
Base-Backbone interact. energy: -0.571
local terms energy: -60.152506
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -8.774
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: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -175.714079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.714079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.714079 (E_RNA)
where:
Base-Base interactions energy: -116.598
where: short stacking energy: -52.588
Base-Backbone interact. energy: -0.863
local terms energy: -58.253265
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -8.584
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -148.747014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.747014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.747014 (E_RNA)
where:
Base-Base interactions energy: -97.866
where: short stacking energy: -46.357
Base-Backbone interact. energy: -0.298
local terms energy: -50.582368
where:
bonds (distance) C4'-P energy: -6.886
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -118.982937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.982937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.982937 (E_RNA)
where:
Base-Base interactions energy: -57.793
where: short stacking energy: -47.621
Base-Backbone interact. energy: 0.614
local terms energy: -61.803975
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -84.370681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.370681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.370681 (E_RNA)
where:
Base-Base interactions energy: -40.678
where: short stacking energy: -27.683
Base-Backbone interact. energy: -0.284
local terms energy: -43.409301
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -3.225
tors. eta vs tors. theta energy: 1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -92.318878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.318878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.318878 (E_RNA)
where:
Base-Base interactions energy: -42.297
where: short stacking energy: -33.412
Base-Backbone interact. energy: -0.200
local terms energy: -49.822140
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -84.501398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.501398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.501398 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -36.845
Base-Backbone interact. energy: -0.101
local terms energy: -45.632568
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -3.489
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -75.324581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.324581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.324581 (E_RNA)
where:
Base-Base interactions energy: -31.970
where: short stacking energy: -31.555
Base-Backbone interact. energy: 0.030
local terms energy: -43.384735
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -3.142
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -214.030854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.030854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.030854 (E_RNA)
where:
Base-Base interactions energy: -135.961
where: short stacking energy: -64.261
Base-Backbone interact. energy: -0.570
local terms energy: -77.499878
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -197.144324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.144324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.144324 (E_RNA)
where:
Base-Base interactions energy: -137.194
where: short stacking energy: -45.623
Base-Backbone interact. energy: -0.231
local terms energy: -59.720263
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -11.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -162.756616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.756616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.756616 (E_RNA)
where:
Base-Base interactions energy: -99.149
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.225
local terms energy: -63.382783
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -5.004
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: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -184.057008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.057008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.057008 (E_RNA)
where:
Base-Base interactions energy: -107.709
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.008
local terms energy: -76.339715
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -12.832
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: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -146.541278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.541278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.541278 (E_RNA)
where:
Base-Base interactions energy: -91.264
where: short stacking energy: -52.860
Base-Backbone interact. energy: 0.146
local terms energy: -55.423407
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -111.333554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.333554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.333554 (E_RNA)
where:
Base-Base interactions energy: -48.883
where: short stacking energy: -38.673
Base-Backbone interact. energy: -0.001
local terms energy: -62.449318
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -8.759
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: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -107.225820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.225820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.225820 (E_RNA)
where:
Base-Base interactions energy: -60.611
where: short stacking energy: -26.682
Base-Backbone interact. energy: -0.071
local terms energy: -46.543988
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -93.303829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.303829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.303829 (E_RNA)
where:
Base-Base interactions energy: -38.741
where: short stacking energy: -37.259
Base-Backbone interact. energy: -0.339
local terms energy: -54.224058
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -85.244106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.244106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.244106 (E_RNA)
where:
Base-Base interactions energy: -53.051
where: short stacking energy: -20.127
Base-Backbone interact. energy: -1.228
local terms energy: -30.964633
where:
bonds (distance) C4'-P energy: -8.527
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: 3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -73.147320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.147320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.147320 (E_RNA)
where:
Base-Base interactions energy: -28.326
where: short stacking energy: -26.596
Base-Backbone interact. energy: -0.112
local terms energy: -44.709234
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -8.766
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: 0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -207.526181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.526181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.526181 (E_RNA)
where:
Base-Base interactions energy: -141.889
where: short stacking energy: -58.484
Base-Backbone interact. energy: 1.223
local terms energy: -66.859638
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -203.577488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.577488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.577488 (E_RNA)
where:
Base-Base interactions energy: -140.783
where: short stacking energy: -53.246
Base-Backbone interact. energy: -0.143
local terms energy: -62.651446
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -180.978084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.978084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.978084 (E_RNA)
where:
Base-Base interactions energy: -114.753
where: short stacking energy: -50.098
Base-Backbone interact. energy: -0.098
local terms energy: -66.126691
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -163.492119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.492119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.492119 (E_RNA)
where:
Base-Base interactions energy: -102.856
where: short stacking energy: -43.229
Base-Backbone interact. energy: -0.515
local terms energy: -60.120900
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -9.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -159.124299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.124299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.124299 (E_RNA)
where:
Base-Base interactions energy: -92.044
where: short stacking energy: -56.568
Base-Backbone interact. energy: -0.058
local terms energy: -67.022142
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -11.845
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: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -98.923409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.923409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.923409 (E_RNA)
where:
Base-Base interactions energy: -39.867
where: short stacking energy: -39.594
Base-Backbone interact. energy: -0.078
local terms energy: -58.978416
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -11.719
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: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -88.963685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.963685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.963685 (E_RNA)
where:
Base-Base interactions energy: -37.843
where: short stacking energy: -29.543
Base-Backbone interact. energy: -0.158
local terms energy: -50.962854
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -90.073246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.073246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.073246 (E_RNA)
where:
Base-Base interactions energy: -42.603
where: short stacking energy: -24.348
Base-Backbone interact. energy: -0.819
local terms energy: -46.651419
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -6.014
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: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -80.055283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.055283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.055283 (E_RNA)
where:
Base-Base interactions energy: -25.307
where: short stacking energy: -24.925
Base-Backbone interact. energy: -0.145
local terms energy: -54.602770
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -74.479788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.479788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.479788 (E_RNA)
where:
Base-Base interactions energy: -24.073
where: short stacking energy: -23.252
Base-Backbone interact. energy: -0.103
local terms energy: -50.304249
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -216.399338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.399338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.399338 (E_RNA)
where:
Base-Base interactions energy: -143.518
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.007
local terms energy: -72.874117
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -7.711
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: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -202.481515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.481515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.481515 (E_RNA)
where:
Base-Base interactions energy: -135.969
where: short stacking energy: -63.719
Base-Backbone interact. energy: -0.106
local terms energy: -66.406658
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -16.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -186.283622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.283622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.283622 (E_RNA)
where:
Base-Base interactions energy: -125.654
where: short stacking energy: -53.739
Base-Backbone interact. energy: -0.370
local terms energy: -60.259468
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -167.579545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.579545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.579545 (E_RNA)
where:
Base-Base interactions energy: -97.773
where: short stacking energy: -58.421
Base-Backbone interact. energy: -0.101
local terms energy: -69.705282
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -15.841
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: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -160.728360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.728360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.728360 (E_RNA)
where:
Base-Base interactions energy: -96.980
where: short stacking energy: -44.743
Base-Backbone interact. energy: -0.796
local terms energy: -62.952400
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -102.835959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.835959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.835959 (E_RNA)
where:
Base-Base interactions energy: -37.848
where: short stacking energy: -34.485
Base-Backbone interact. energy: -0.429
local terms energy: -64.559420
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -121.296195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.296195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.296195 (E_RNA)
where:
Base-Base interactions energy: -67.072
where: short stacking energy: -38.836
Base-Backbone interact. energy: -0.028
local terms energy: -54.196697
where:
bonds (distance) C4'-P energy: -6.121
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -11.023
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: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -92.548822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.548822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.548822 (E_RNA)
where:
Base-Base interactions energy: -36.835
where: short stacking energy: -36.907
Base-Backbone interact. energy: -0.185
local terms energy: -55.529522
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -9.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -91.243655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.243655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.243655 (E_RNA)
where:
Base-Base interactions energy: -37.784
where: short stacking energy: -26.196
Base-Backbone interact. energy: -0.235
local terms energy: -53.224611
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -6.042
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: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -80.770505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.770505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.770505 (E_RNA)
where:
Base-Base interactions energy: -30.197
where: short stacking energy: -24.181
Base-Backbone interact. energy: -0.090
local terms energy: -50.483519
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -209.232343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.232343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.232343 (E_RNA)
where:
Base-Base interactions energy: -139.209
where: short stacking energy: -55.210
Base-Backbone interact. energy: -0.024
local terms energy: -69.998667
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -195.986406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.986406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.986406 (E_RNA)
where:
Base-Base interactions energy: -122.992
where: short stacking energy: -63.860
Base-Backbone interact. energy: -0.028
local terms energy: -72.966803
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -187.850936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.850936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.850936 (E_RNA)
where:
Base-Base interactions energy: -121.064
where: short stacking energy: -47.117
Base-Backbone interact. energy: -0.412
local terms energy: -66.375013
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -170.481015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.481015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.481015 (E_RNA)
where:
Base-Base interactions energy: -100.331
where: short stacking energy: -55.842
Base-Backbone interact. energy: -0.226
local terms energy: -69.924095
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -9.823
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: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -173.775326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.775326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.775326 (E_RNA)
where:
Base-Base interactions energy: -121.091
where: short stacking energy: -56.100
Base-Backbone interact. energy: -0.210
local terms energy: -52.473556
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -11.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -100.937146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.937146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.937146 (E_RNA)
where:
Base-Base interactions energy: -51.238
where: short stacking energy: -40.456
Base-Backbone interact. energy: -0.482
local terms energy: -49.217777
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -95.658669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.658669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.658669 (E_RNA)
where:
Base-Base interactions energy: -43.197
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.082
local terms energy: -52.379418
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -1.001
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: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -109.309531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.309531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.309531 (E_RNA)
where:
Base-Base interactions energy: -57.424
where: short stacking energy: -35.816
Base-Backbone interact. energy: -0.166
local terms energy: -51.719930
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -86.418726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.418726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.418726 (E_RNA)
where:
Base-Base interactions energy: -32.097
where: short stacking energy: -32.097
Base-Backbone interact. energy: -1.129
local terms energy: -53.192779
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -86.426727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.426727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.426727 (E_RNA)
where:
Base-Base interactions energy: -39.699
where: short stacking energy: -21.438
Base-Backbone interact. energy: -1.278
local terms energy: -45.449770
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -0.758
tors. eta vs tors. theta energy: -4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -217.906121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.906121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.906121 (E_RNA)
where:
Base-Base interactions energy: -137.957
where: short stacking energy: -74.857
Base-Backbone interact. energy: -0.504
local terms energy: -79.444320
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -184.435859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.435859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.435859 (E_RNA)
where:
Base-Base interactions energy: -114.401
where: short stacking energy: -58.767
Base-Backbone interact. energy: -1.068
local terms energy: -68.966956
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -10.748
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: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -182.308258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.308258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.308258 (E_RNA)
where:
Base-Base interactions energy: -118.043
where: short stacking energy: -62.288
Base-Backbone interact. energy: -0.044
local terms energy: -64.221617
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -13.905
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: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -178.723524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.723524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.723524 (E_RNA)
where:
Base-Base interactions energy: -115.174
where: short stacking energy: -58.384
Base-Backbone interact. energy: -0.198
local terms energy: -63.351718
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -10.166
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: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -154.969049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.969049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.969049 (E_RNA)
where:
Base-Base interactions energy: -94.312
where: short stacking energy: -56.756
Base-Backbone interact. energy: -0.003
local terms energy: -60.654886
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -11.825
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: 2
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -94.921127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.921127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.921127 (E_RNA)
where:
Base-Base interactions energy: -34.942
where: short stacking energy: -32.268
Base-Backbone interact. energy: -0.067
local terms energy: -59.912479
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -105.380361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.380361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.380361 (E_RNA)
where:
Base-Base interactions energy: -47.962
where: short stacking energy: -31.629
Base-Backbone interact. energy: -0.696
local terms energy: -56.722049
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -7.117
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: 8, replica: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -80.315622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.315622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.315622 (E_RNA)
where:
Base-Base interactions energy: -26.500
where: short stacking energy: -24.122
Base-Backbone interact. energy: -0.191
local terms energy: -53.624133
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -10.764
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -85.387284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.387284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.387284 (E_RNA)
where:
Base-Base interactions energy: -38.339
where: short stacking energy: -34.921
Base-Backbone interact. energy: 1.916
local terms energy: -48.964923
where:
bonds (distance) C4'-P energy: -7.280
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -85.263325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.263325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.263325 (E_RNA)
where:
Base-Base interactions energy: -39.501
where: short stacking energy: -23.824
Base-Backbone interact. energy: -0.226
local terms energy: -45.536622
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -8.188
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: 0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -216.753564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.753564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.753564 (E_RNA)
where:
Base-Base interactions energy: -137.516
where: short stacking energy: -74.314
Base-Backbone interact. energy: -0.002
local terms energy: -79.235715
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -172.100857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.100857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.100857 (E_RNA)
where:
Base-Base interactions energy: -110.169
where: short stacking energy: -63.120
Base-Backbone interact. energy: -0.059
local terms energy: -61.872650
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -11.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -186.096752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.096752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.096752 (E_RNA)
where:
Base-Base interactions energy: -114.666
where: short stacking energy: -60.748
Base-Backbone interact. energy: -0.062
local terms energy: -71.368864
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -12.026
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: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -183.224751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.224751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.224751 (E_RNA)
where:
Base-Base interactions energy: -116.003
where: short stacking energy: -48.680
Base-Backbone interact. energy: -0.115
local terms energy: -67.106571
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -162.819226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.819226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.819226 (E_RNA)
where:
Base-Base interactions energy: -101.566
where: short stacking energy: -43.462
Base-Backbone interact. energy: 0.895
local terms energy: -62.148217
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -95.920998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.920998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.920998 (E_RNA)
where:
Base-Base interactions energy: -35.801
where: short stacking energy: -30.819
Base-Backbone interact. energy: -0.150
local terms energy: -59.969868
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -98.793020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.793020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.793020 (E_RNA)
where:
Base-Base interactions energy: -41.835
where: short stacking energy: -30.704
Base-Backbone interact. energy: -0.090
local terms energy: -56.868637
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -99.754492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.754492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.754492 (E_RNA)
where:
Base-Base interactions energy: -43.753
where: short stacking energy: -40.686
Base-Backbone interact. energy: -0.001
local terms energy: -56.000617
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -9.663
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: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -88.774609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.774609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.774609 (E_RNA)
where:
Base-Base interactions energy: -33.204
where: short stacking energy: -31.426
Base-Backbone interact. energy: -1.276
local terms energy: -54.295051
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -80.549092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.549092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.549092 (E_RNA)
where:
Base-Base interactions energy: -26.849
where: short stacking energy: -26.160
Base-Backbone interact. energy: -0.134
local terms energy: -53.566085
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -201.067224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.067224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.067224 (E_RNA)
where:
Base-Base interactions energy: -126.022
where: short stacking energy: -67.039
Base-Backbone interact. energy: -0.002
local terms energy: -75.042820
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -192.341306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.341306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.341306 (E_RNA)
where:
Base-Base interactions energy: -117.566
where: short stacking energy: -62.279
Base-Backbone interact. energy: -0.303
local terms energy: -74.471484
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -9.432
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: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -162.829726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.829726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.829726 (E_RNA)
where:
Base-Base interactions energy: -99.375
where: short stacking energy: -52.858
Base-Backbone interact. energy: -0.321
local terms energy: -63.133765
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -170.670212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.670212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.670212 (E_RNA)
where:
Base-Base interactions energy: -103.195
where: short stacking energy: -52.250
Base-Backbone interact. energy: -0.481
local terms energy: -66.993824
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -9.091
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: 399
Temperature: 1.100000
Total energy: -158.581363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.581363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.581363 (E_RNA)
where:
Base-Base interactions energy: -88.452
where: short stacking energy: -51.005
Base-Backbone interact. energy: -0.007
local terms energy: -70.121550
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -9.645
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: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -103.279026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.279026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.279026 (E_RNA)
where:
Base-Base interactions energy: -45.765
where: short stacking energy: -30.161
Base-Backbone interact. energy: -0.116
local terms energy: -57.397224
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -88.824535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.824535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.824535 (E_RNA)
where:
Base-Base interactions energy: -46.141
where: short stacking energy: -37.932
Base-Backbone interact. energy: -0.507
local terms energy: -42.176957
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -3.223
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -101.949397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.949397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.949397 (E_RNA)
where:
Base-Base interactions energy: -40.168
where: short stacking energy: -40.168
Base-Backbone interact. energy: -0.138
local terms energy: -61.644007
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -90.627474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.627474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.627474 (E_RNA)
where:
Base-Base interactions energy: -31.616
where: short stacking energy: -29.034
Base-Backbone interact. energy: 0.202
local terms energy: -59.213551
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -79.958231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.958231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.958231 (E_RNA)
where:
Base-Base interactions energy: -23.088
where: short stacking energy: -22.995
Base-Backbone interact. energy: -0.033
local terms energy: -56.838025
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -200.416983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.416983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.416983 (E_RNA)
where:
Base-Base interactions energy: -136.180
where: short stacking energy: -73.271
Base-Backbone interact. energy: -0.014
local terms energy: -64.222857
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -188.683047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.683047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.683047 (E_RNA)
where:
Base-Base interactions energy: -120.660
where: short stacking energy: -57.761
Base-Backbone interact. energy: -0.066
local terms energy: -67.956929
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -13.607
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: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -178.567163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.567163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.567163 (E_RNA)
where:
Base-Base interactions energy: -107.121
where: short stacking energy: -51.207
Base-Backbone interact. energy: -0.510
local terms energy: -70.936673
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -175.984519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.984519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.984519 (E_RNA)
where:
Base-Base interactions energy: -119.074
where: short stacking energy: -51.641
Base-Backbone interact. energy: -0.105
local terms energy: -56.804922
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -0.777
tors. eta vs tors. theta energy: -15.453
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: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -110.562155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.562155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.562155 (E_RNA)
where:
Base-Base interactions energy: -50.380
where: short stacking energy: -50.380
Base-Backbone interact. energy: -0.048
local terms energy: -60.134446
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -155.615794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.615794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.615794 (E_RNA)
where:
Base-Base interactions energy: -100.031
where: short stacking energy: -43.301
Base-Backbone interact. energy: -0.036
local terms energy: -55.548820
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: 0.431
tors. eta vs tors. theta energy: -12.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -95.242206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.242206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.242206 (E_RNA)
where:
Base-Base interactions energy: -43.980
where: short stacking energy: -37.788
Base-Backbone interact. energy: -0.186
local terms energy: -51.076054
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -8.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -87.003620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.003620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.003620 (E_RNA)
where:
Base-Base interactions energy: -27.772
where: short stacking energy: -27.093
Base-Backbone interact. energy: 0.473
local terms energy: -59.704599
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -82.624303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.624303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.624303 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -23.903
Base-Backbone interact. energy: -0.322
local terms energy: -47.933236
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: 0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -85.746920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.746920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.746920 (E_RNA)
where:
Base-Base interactions energy: -23.904
where: short stacking energy: -15.242
Base-Backbone interact. energy: -1.370
local terms energy: -60.473427
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -207.867211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.867211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.867211 (E_RNA)
where:
Base-Base interactions energy: -131.917
where: short stacking energy: -70.030
Base-Backbone interact. energy: -0.009
local terms energy: -75.941098
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -189.760429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.760429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.760429 (E_RNA)
where:
Base-Base interactions energy: -124.565
where: short stacking energy: -54.524
Base-Backbone interact. energy: -0.852
local terms energy: -64.343686
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -10.571
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: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -183.173844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.173844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.173844 (E_RNA)
where:
Base-Base interactions energy: -116.894
where: short stacking energy: -58.576
Base-Backbone interact. energy: -0.390
local terms energy: -65.889864
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -192.538017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.538017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.538017 (E_RNA)
where:
Base-Base interactions energy: -120.805
where: short stacking energy: -56.031
Base-Backbone interact. energy: -0.291
local terms energy: -71.442256
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -16.186
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: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -106.774528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.774528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.774528 (E_RNA)
where:
Base-Base interactions energy: -42.394
where: short stacking energy: -42.394
Base-Backbone interact. energy: -0.008
local terms energy: -64.372515
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -157.575116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.575116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.575116 (E_RNA)
where:
Base-Base interactions energy: -90.182
where: short stacking energy: -46.543
Base-Backbone interact. energy: -0.274
local terms energy: -67.118631
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -14.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -116.594675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.594675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.594675 (E_RNA)
where:
Base-Base interactions energy: -49.852
where: short stacking energy: -49.852
Base-Backbone interact. energy: -0.067
local terms energy: -66.675606
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -10.639
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: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -88.403401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.403401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.403401 (E_RNA)
where:
Base-Base interactions energy: -41.675
where: short stacking energy: -35.227
Base-Backbone interact. energy: -0.678
local terms energy: -46.050290
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -7.216
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -86.811497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.811497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.811497 (E_RNA)
where:
Base-Base interactions energy: -34.418
where: short stacking energy: -28.585
Base-Backbone interact. energy: -0.069
local terms energy: -52.324609
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -3.362
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: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -81.529551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.529551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.529551 (E_RNA)
where:
Base-Base interactions energy: -29.759
where: short stacking energy: -29.759
Base-Backbone interact. energy: -0.102
local terms energy: -51.668458
where:
bonds (distance) C4'-P energy: -7.831
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -210.840514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.840514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.840514 (E_RNA)
where:
Base-Base interactions energy: -137.036
where: short stacking energy: -67.702
Base-Backbone interact. energy: -0.003
local terms energy: -73.800989
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -19.798
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: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -186.622245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.622245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.622245 (E_RNA)
where:
Base-Base interactions energy: -126.529
where: short stacking energy: -52.475
Base-Backbone interact. energy: -0.052
local terms energy: -60.040274
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -175.085777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.085777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.085777 (E_RNA)
where:
Base-Base interactions energy: -120.957
where: short stacking energy: -56.679
Base-Backbone interact. energy: -0.004
local terms energy: -54.124740
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -180.350429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.350429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.350429 (E_RNA)
where:
Base-Base interactions energy: -115.393
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.201
local terms energy: -64.755781
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -12.603
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: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -162.863902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.863902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.863902 (E_RNA)
where:
Base-Base interactions energy: -101.619
where: short stacking energy: -55.145
Base-Backbone interact. energy: 0.474
local terms energy: -61.718885
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -10.783
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: 2
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -107.026099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.026099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.026099 (E_RNA)
where:
Base-Base interactions energy: -49.625
where: short stacking energy: -37.473
Base-Backbone interact. energy: -0.071
local terms energy: -57.330233
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -98.241175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.241175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.241175 (E_RNA)
where:
Base-Base interactions energy: -38.887
where: short stacking energy: -30.267
Base-Backbone interact. energy: -0.086
local terms energy: -59.267791
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -88.284005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.284005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.284005 (E_RNA)
where:
Base-Base interactions energy: -39.075
where: short stacking energy: -22.919
Base-Backbone interact. energy: -0.123
local terms energy: -49.085935
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: 0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -84.122261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.122261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.122261 (E_RNA)
where:
Base-Base interactions energy: -33.719
where: short stacking energy: -29.283
Base-Backbone interact. energy: -0.383
local terms energy: -50.020739
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -90.823932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.823932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.823932 (E_RNA)
where:
Base-Base interactions energy: -45.851
where: short stacking energy: -23.175
Base-Backbone interact. energy: -0.946
local terms energy: -44.026981
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -220.000582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.000582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.000582 (E_RNA)
where:
Base-Base interactions energy: -142.367
where: short stacking energy: -72.872
Base-Backbone interact. energy: -0.009
local terms energy: -77.624359
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -185.680796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.680796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.680796 (E_RNA)
where:
Base-Base interactions energy: -112.988
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.407
local terms energy: -72.284979
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -14.066
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: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -191.393689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.393689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.393689 (E_RNA)
where:
Base-Base interactions energy: -127.420
where: short stacking energy: -62.714
Base-Backbone interact. energy: -0.084
local terms energy: -63.889864
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -175.861126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.861126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.861126 (E_RNA)
where:
Base-Base interactions energy: -115.016
where: short stacking energy: -55.607
Base-Backbone interact. energy: -0.098
local terms energy: -60.747083
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -184.328668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.328668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.328668 (E_RNA)
where:
Base-Base interactions energy: -114.114
where: short stacking energy: -56.387
Base-Backbone interact. energy: 0.248
local terms energy: -70.462832
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -96.948953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.948953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.948953 (E_RNA)
where:
Base-Base interactions energy: -56.928
where: short stacking energy: -23.993
Base-Backbone interact. energy: -0.520
local terms energy: -39.501260
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -3.079
tors. eta vs tors. theta energy: 2.442
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: 403
Temperature: 1.200000
Total energy: -86.984811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.984811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.984811 (E_RNA)
where:
Base-Base interactions energy: -38.162
where: short stacking energy: -33.155
Base-Backbone interact. energy: -0.731
local terms energy: -48.092265
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -4.112
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -107.952738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.952738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.952738 (E_RNA)
where:
Base-Base interactions energy: -57.459
where: short stacking energy: -35.918
Base-Backbone interact. energy: 1.051
local terms energy: -51.544204
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -84.064163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.064163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.064163 (E_RNA)
where:
Base-Base interactions energy: -28.447
where: short stacking energy: -26.285
Base-Backbone interact. energy: -0.583
local terms energy: -55.034287
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -82.903802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.903802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.903802 (E_RNA)
where:
Base-Base interactions energy: -29.902
where: short stacking energy: -29.539
Base-Backbone interact. energy: -0.184
local terms energy: -52.817307
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -214.129971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.129971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.129971 (E_RNA)
where:
Base-Base interactions energy: -141.570
where: short stacking energy: -66.452
Base-Backbone interact. energy: -0.003
local terms energy: -72.557753
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -8.894
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: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -185.302109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.302109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.302109 (E_RNA)
where:
Base-Base interactions energy: -119.779
where: short stacking energy: -56.528
Base-Backbone interact. energy: 0.643
local terms energy: -66.166452
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -6.700
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: 3, replica: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -178.550060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.550060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.550060 (E_RNA)
where:
Base-Base interactions energy: -111.943
where: short stacking energy: -55.910
Base-Backbone interact. energy: -0.156
local terms energy: -66.450431
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -178.443822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.443822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.443822 (E_RNA)
where:
Base-Base interactions energy: -119.827
where: short stacking energy: -47.460
Base-Backbone interact. energy: -0.229
local terms energy: -58.387694
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -179.585675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.585675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.585675 (E_RNA)
where:
Base-Base interactions energy: -121.094
where: short stacking energy: -53.645
Base-Backbone interact. energy: -0.561
local terms energy: -57.931275
where:
bonds (distance) C4'-P energy: -7.689
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -4.016
tors. eta vs tors. theta energy: -12.010
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: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -90.045513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.045513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.045513 (E_RNA)
where:
Base-Base interactions energy: -32.045
where: short stacking energy: -28.422
Base-Backbone interact. energy: -0.045
local terms energy: -57.955397
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -93.886660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.886660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.886660 (E_RNA)
where:
Base-Base interactions energy: -36.590
where: short stacking energy: -37.290
Base-Backbone interact. energy: -0.209
local terms energy: -57.087631
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -8.048
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -82.000548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.000548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.000548 (E_RNA)
where:
Base-Base interactions energy: -31.085
where: short stacking energy: -29.130
Base-Backbone interact. energy: -0.308
local terms energy: -50.608087
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -7.587
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -79.690666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.690666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.690666 (E_RNA)
where:
Base-Base interactions energy: -27.278
where: short stacking energy: -23.766
Base-Backbone interact. energy: -0.048
local terms energy: -52.363966
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -3.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -75.191941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.191941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.191941 (E_RNA)
where:
Base-Base interactions energy: -33.387
where: short stacking energy: -23.958
Base-Backbone interact. energy: -0.231
local terms energy: -41.574134
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: 3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -210.212780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.212780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.212780 (E_RNA)
where:
Base-Base interactions energy: -143.326
where: short stacking energy: -74.361
Base-Backbone interact. energy: -0.008
local terms energy: -66.879268
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -18.542
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: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -192.833415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.833415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.833415 (E_RNA)
where:
Base-Base interactions energy: -120.471
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.253
local terms energy: -72.108714
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -188.705179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.705179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.705179 (E_RNA)
where:
Base-Base interactions energy: -114.639
where: short stacking energy: -57.092
Base-Backbone interact. energy: -0.002
local terms energy: -74.064382
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -181.554188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.554188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.554188 (E_RNA)
where:
Base-Base interactions energy: -115.412
where: short stacking energy: -61.997
Base-Backbone interact. energy: -0.006
local terms energy: -66.135834
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -11.794
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: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -134.946242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.946242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.946242 (E_RNA)
where:
Base-Base interactions energy: -89.558
where: short stacking energy: -38.499
Base-Backbone interact. energy: -0.223
local terms energy: -45.165674
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -99.412411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.412411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.412411 (E_RNA)
where:
Base-Base interactions energy: -42.258
where: short stacking energy: -42.258
Base-Backbone interact. energy: -0.267
local terms energy: -56.887210
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -92.802278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.802278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.802278 (E_RNA)
where:
Base-Base interactions energy: -44.256
where: short stacking energy: -38.493
Base-Backbone interact. energy: -0.307
local terms energy: -48.239366
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -4.277
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -85.577540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.577540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.577540 (E_RNA)
where:
Base-Base interactions energy: -36.538
where: short stacking energy: -35.570
Base-Backbone interact. energy: -0.078
local terms energy: -48.962020
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -2.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -90.893487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.893487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.893487 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -34.133
Base-Backbone interact. energy: -0.044
local terms energy: -52.123327
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -84.661298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.661298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.661298 (E_RNA)
where:
Base-Base interactions energy: -33.261
where: short stacking energy: -29.028
Base-Backbone interact. energy: -0.249
local terms energy: -51.151306
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -3.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -201.313267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.313267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.313267 (E_RNA)
where:
Base-Base interactions energy: -143.021
where: short stacking energy: -63.606
Base-Backbone interact. energy: -0.005
local terms energy: -58.286911
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -14.018
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: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -199.787841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.787841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.787841 (E_RNA)
where:
Base-Base interactions energy: -132.711
where: short stacking energy: -55.288
Base-Backbone interact. energy: 0.378
local terms energy: -67.454886
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -9.930
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: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -175.137423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.137423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.137423 (E_RNA)
where:
Base-Base interactions energy: -109.080
where: short stacking energy: -57.306
Base-Backbone interact. energy: -0.217
local terms energy: -65.840000
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -177.372698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.372698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.372698 (E_RNA)
where:
Base-Base interactions energy: -116.078
where: short stacking energy: -52.851
Base-Backbone interact. energy: -0.418
local terms energy: -60.876720
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -11.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -152.703543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.703543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.703543 (E_RNA)
where:
Base-Base interactions energy: -94.879
where: short stacking energy: -43.798
Base-Backbone interact. energy: -0.066
local terms energy: -57.758845
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -4.353
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -104.101342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.101342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.101342 (E_RNA)
where:
Base-Base interactions energy: -46.268
where: short stacking energy: -40.010
Base-Backbone interact. energy: -0.098
local terms energy: -57.735118
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -101.375418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.375418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.375418 (E_RNA)
where:
Base-Base interactions energy: -57.681
where: short stacking energy: -46.366
Base-Backbone interact. energy: -0.098
local terms energy: -43.595804
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -6.913
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -91.290851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.290851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.290851 (E_RNA)
where:
Base-Base interactions energy: -40.540
where: short stacking energy: -30.737
Base-Backbone interact. energy: -0.229
local terms energy: -50.522325
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -3.502
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: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -76.960141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.960141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.960141 (E_RNA)
where:
Base-Base interactions energy: -33.692
where: short stacking energy: -27.827
Base-Backbone interact. energy: -0.657
local terms energy: -42.610905
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -7.866
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: 1.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -94.512072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.512072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.512072 (E_RNA)
where:
Base-Base interactions energy: -49.837
where: short stacking energy: -37.113
Base-Backbone interact. energy: -0.161
local terms energy: -44.514373
where:
bonds (distance) C4'-P energy: -8.337
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -9.017
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: 1, replica: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -205.893872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.893872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.893872 (E_RNA)
where:
Base-Base interactions energy: -139.978
where: short stacking energy: -63.632
Base-Backbone interact. energy: -0.439
local terms energy: -65.476353
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -13.776
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: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -202.871517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.871517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.871517 (E_RNA)
where:
Base-Base interactions energy: -133.612
where: short stacking energy: -66.369
Base-Backbone interact. energy: -0.273
local terms energy: -68.986605
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -176.872999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.872999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.872999 (E_RNA)
where:
Base-Base interactions energy: -109.946
where: short stacking energy: -60.585
Base-Backbone interact. energy: -1.065
local terms energy: -65.862196
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -16.634
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: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -165.282506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.282506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.282506 (E_RNA)
where:
Base-Base interactions energy: -108.872
where: short stacking energy: -52.444
Base-Backbone interact. energy: -0.528
local terms energy: -55.882788
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -5.044
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: 5, replica: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -166.544688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.544688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.544688 (E_RNA)
where:
Base-Base interactions energy: -104.788
where: short stacking energy: -44.095
Base-Backbone interact. energy: -0.175
local terms energy: -61.581557
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -110.297904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.297904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.297904 (E_RNA)
where:
Base-Base interactions energy: -53.259
where: short stacking energy: -48.174
Base-Backbone interact. energy: -0.003
local terms energy: -57.035292
where:
bonds (distance) C4'-P energy: -8.870
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -12.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -88.113214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.113214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.113214 (E_RNA)
where:
Base-Base interactions energy: -42.212
where: short stacking energy: -28.745
Base-Backbone interact. energy: -1.403
local terms energy: -44.497719
where:
bonds (distance) C4'-P energy: -6.854
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -4.701
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: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -85.812205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.812205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.812205 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -28.447
Base-Backbone interact. energy: 0.177
local terms energy: -55.891846
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -1.632
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: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -89.241842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.241842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.241842 (E_RNA)
where:
Base-Base interactions energy: -45.894
where: short stacking energy: -38.268
Base-Backbone interact. energy: -0.412
local terms energy: -42.936086
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -8.418
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -79.469683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.469683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.469683 (E_RNA)
where:
Base-Base interactions energy: -37.472
where: short stacking energy: -36.835
Base-Backbone interact. energy: -0.179
local terms energy: -41.819058
where:
bonds (distance) C4'-P energy: -7.535
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -211.622664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.622664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.622664 (E_RNA)
where:
Base-Base interactions energy: -141.124
where: short stacking energy: -65.716
Base-Backbone interact. energy: -1.315
local terms energy: -69.184057
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -199.284178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.284178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.284178 (E_RNA)
where:
Base-Base interactions energy: -129.928
where: short stacking energy: -55.287
Base-Backbone interact. energy: -0.167
local terms energy: -69.188954
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -3.970
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -186.676841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.676841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.676841 (E_RNA)
where:
Base-Base interactions energy: -125.530
where: short stacking energy: -45.036
Base-Backbone interact. energy: -0.265
local terms energy: -60.881042
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -6.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -174.192989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.192989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.192989 (E_RNA)
where:
Base-Base interactions energy: -106.150
where: short stacking energy: -54.678
Base-Backbone interact. energy: -0.703
local terms energy: -67.340123
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -180.319314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.319314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.319314 (E_RNA)
where:
Base-Base interactions energy: -119.618
where: short stacking energy: -53.849
Base-Backbone interact. energy: 0.599
local terms energy: -61.300773
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -12.420
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: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -94.661753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.661753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.661753 (E_RNA)
where:
Base-Base interactions energy: -40.987
where: short stacking energy: -38.860
Base-Backbone interact. energy: -0.154
local terms energy: -53.520745
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -2.028
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: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -92.281547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.281547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.281547 (E_RNA)
where:
Base-Base interactions energy: -34.520
where: short stacking energy: -27.496
Base-Backbone interact. energy: -0.132
local terms energy: -57.629830
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -92.693366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.693366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.693366 (E_RNA)
where:
Base-Base interactions energy: -36.522
where: short stacking energy: -36.522
Base-Backbone interact. energy: 0.142
local terms energy: -56.312903
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -85.475328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.475328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.475328 (E_RNA)
where:
Base-Base interactions energy: -28.357
where: short stacking energy: -22.510
Base-Backbone interact. energy: 0.322
local terms energy: -57.440418
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -76.161578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.161578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.161578 (E_RNA)
where:
Base-Base interactions energy: -40.322
where: short stacking energy: -27.146
Base-Backbone interact. energy: -0.204
local terms energy: -35.635479
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -6.792
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: 1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -205.380832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.380832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.380832 (E_RNA)
where:
Base-Base interactions energy: -136.604
where: short stacking energy: -56.856
Base-Backbone interact. energy: -1.301
local terms energy: -67.476080
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -12.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -199.189888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.189888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.189888 (E_RNA)
where:
Base-Base interactions energy: -131.577
where: short stacking energy: -51.628
Base-Backbone interact. energy: 0.214
local terms energy: -67.827649
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -13.247
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: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -195.982206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.982206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.982206 (E_RNA)
where:
Base-Base interactions energy: -118.050
where: short stacking energy: -60.655
Base-Backbone interact. energy: -0.091
local terms energy: -77.841062
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -14.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -171.176425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.176425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.176425 (E_RNA)
where:
Base-Base interactions energy: -101.258
where: short stacking energy: -53.032
Base-Backbone interact. energy: -0.391
local terms energy: -69.527891
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -169.759640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.759640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.759640 (E_RNA)
where:
Base-Base interactions energy: -105.666
where: short stacking energy: -50.747
Base-Backbone interact. energy: -0.302
local terms energy: -63.791847
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -108.337673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.337673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.337673 (E_RNA)
where:
Base-Base interactions energy: -45.726
where: short stacking energy: -44.461
Base-Backbone interact. energy: 0.519
local terms energy: -63.130089
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -88.136426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.136426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.136426 (E_RNA)
where:
Base-Base interactions energy: -41.436
where: short stacking energy: -38.890
Base-Backbone interact. energy: -0.513
local terms energy: -46.187870
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -96.789938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.789938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.789938 (E_RNA)
where:
Base-Base interactions energy: -43.010
where: short stacking energy: -38.750
Base-Backbone interact. energy: -0.109
local terms energy: -53.670800
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -80.103641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.103641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.103641 (E_RNA)
where:
Base-Base interactions energy: -32.479
where: short stacking energy: -29.063
Base-Backbone interact. energy: -1.432
local terms energy: -46.192697
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: 1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -80.148455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.148455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.148455 (E_RNA)
where:
Base-Base interactions energy: -26.158
where: short stacking energy: -26.158
Base-Backbone interact. energy: -0.376
local terms energy: -53.614690
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -205.935335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.935335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.935335 (E_RNA)
where:
Base-Base interactions energy: -138.564
where: short stacking energy: -66.887
Base-Backbone interact. energy: -0.011
local terms energy: -67.360701
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -193.107845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.107845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.107845 (E_RNA)
where:
Base-Base interactions energy: -130.627
where: short stacking energy: -49.754
Base-Backbone interact. energy: -0.443
local terms energy: -62.037390
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -10.830
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: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -199.457670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.457670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.457670 (E_RNA)
where:
Base-Base interactions energy: -125.762
where: short stacking energy: -53.269
Base-Backbone interact. energy: -0.097
local terms energy: -73.599038
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -188.652237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.652237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.652237 (E_RNA)
where:
Base-Base interactions energy: -130.442
where: short stacking energy: -54.343
Base-Backbone interact. energy: -0.137
local terms energy: -58.072754
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -154.073955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.073955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.073955 (E_RNA)
where:
Base-Base interactions energy: -91.820
where: short stacking energy: -38.048
Base-Backbone interact. energy: -0.870
local terms energy: -61.384205
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -102.285926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.285926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.285926 (E_RNA)
where:
Base-Base interactions energy: -39.286
where: short stacking energy: -36.591
Base-Backbone interact. energy: -0.005
local terms energy: -62.995378
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -87.741175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.741175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.741175 (E_RNA)
where:
Base-Base interactions energy: -31.294
where: short stacking energy: -27.836
Base-Backbone interact. energy: -0.285
local terms energy: -56.162213
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -77.041379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.041379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.041379 (E_RNA)
where:
Base-Base interactions energy: -27.149
where: short stacking energy: -25.772
Base-Backbone interact. energy: -0.158
local terms energy: -49.734143
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -84.619088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.619088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.619088 (E_RNA)
where:
Base-Base interactions energy: -33.582
where: short stacking energy: -27.728
Base-Backbone interact. energy: -0.103
local terms energy: -50.934606
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -7.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -75.433406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.433406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.433406 (E_RNA)
where:
Base-Base interactions energy: -23.567
where: short stacking energy: -23.567
Base-Backbone interact. energy: -0.029
local terms energy: -51.837531
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -208.172475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.172475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.172475 (E_RNA)
where:
Base-Base interactions energy: -134.891
where: short stacking energy: -67.337
Base-Backbone interact. energy: 0.420
local terms energy: -73.700873
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -10.946
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: 2, replica: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -203.284611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.284611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.284611 (E_RNA)
where:
Base-Base interactions energy: -133.739
where: short stacking energy: -59.708
Base-Backbone interact. energy: -0.062
local terms energy: -69.483775
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -14.506
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: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -194.353145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.353145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.353145 (E_RNA)
where:
Base-Base interactions energy: -133.934
where: short stacking energy: -52.579
Base-Backbone interact. energy: -0.631
local terms energy: -59.788816
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -174.871547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.871547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.871547 (E_RNA)
where:
Base-Base interactions energy: -108.334
where: short stacking energy: -47.608
Base-Backbone interact. energy: -0.070
local terms energy: -66.467037
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -9.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -145.982165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.982165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.982165 (E_RNA)
where:
Base-Base interactions energy: -89.994
where: short stacking energy: -48.803
Base-Backbone interact. energy: -0.193
local terms energy: -55.795003
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -9.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -96.652095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.652095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.652095 (E_RNA)
where:
Base-Base interactions energy: -46.349
where: short stacking energy: -31.053
Base-Backbone interact. energy: -0.037
local terms energy: -50.266157
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -5.710
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -89.847440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.847440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.847440 (E_RNA)
where:
Base-Base interactions energy: -42.044
where: short stacking energy: -26.349
Base-Backbone interact. energy: 0.273
local terms energy: -48.076398
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: 3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -90.900220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.900220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.900220 (E_RNA)
where:
Base-Base interactions energy: -33.248
where: short stacking energy: -33.248
Base-Backbone interact. energy: -0.048
local terms energy: -57.604555
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: 0.907
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: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -103.015351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.015351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.015351 (E_RNA)
where:
Base-Base interactions energy: -52.582
where: short stacking energy: -38.367
Base-Backbone interact. energy: -0.105
local terms energy: -50.327821
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -74.170164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.170164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.170164 (E_RNA)
where:
Base-Base interactions energy: -21.014
where: short stacking energy: -20.987
Base-Backbone interact. energy: -0.137
local terms energy: -53.019250
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -206.605244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.605244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.605244 (E_RNA)
where:
Base-Base interactions energy: -133.547
where: short stacking energy: -64.516
Base-Backbone interact. energy: -0.017
local terms energy: -73.040983
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -191.479579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.479579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.479579 (E_RNA)
where:
Base-Base interactions energy: -123.351
where: short stacking energy: -57.030
Base-Backbone interact. energy: -0.100
local terms energy: -68.028610
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -12.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -190.635338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.635338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.635338 (E_RNA)
where:
Base-Base interactions energy: -122.382
where: short stacking energy: -50.145
Base-Backbone interact. energy: -0.329
local terms energy: -67.925004
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -11.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -181.947781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.947781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.947781 (E_RNA)
where:
Base-Base interactions energy: -122.620
where: short stacking energy: -55.936
Base-Backbone interact. energy: -0.085
local terms energy: -59.242986
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -174.317291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.317291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.317291 (E_RNA)
where:
Base-Base interactions energy: -118.482
where: short stacking energy: -45.390
Base-Backbone interact. energy: -0.145
local terms energy: -55.690389
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -98.862620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.862620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.862620 (E_RNA)
where:
Base-Base interactions energy: -45.235
where: short stacking energy: -44.798
Base-Backbone interact. energy: -2.160
local terms energy: -51.467438
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -8.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -91.815400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.815400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.815400 (E_RNA)
where:
Base-Base interactions energy: -37.702
where: short stacking energy: -37.079
Base-Backbone interact. energy: -2.092
local terms energy: -52.021344
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -106.928592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.928592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.928592 (E_RNA)
where:
Base-Base interactions energy: -49.615
where: short stacking energy: -42.803
Base-Backbone interact. energy: -0.307
local terms energy: -57.006428
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -81.571137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.571137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.571137 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -33.623
Base-Backbone interact. energy: -0.322
local terms energy: -41.487200
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -7.867
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -77.196686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.196686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.196686 (E_RNA)
where:
Base-Base interactions energy: -31.299
where: short stacking energy: -23.165
Base-Backbone interact. energy: -0.210
local terms energy: -45.688159
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -205.766474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.766474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.766474 (E_RNA)
where:
Base-Base interactions energy: -131.190
where: short stacking energy: -62.071
Base-Backbone interact. energy: -0.032
local terms energy: -74.545034
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -200.768962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.768962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.768962 (E_RNA)
where:
Base-Base interactions energy: -130.865
where: short stacking energy: -54.421
Base-Backbone interact. energy: -0.098
local terms energy: -69.806716
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -181.108524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.108524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.108524 (E_RNA)
where:
Base-Base interactions energy: -125.566
where: short stacking energy: -49.226
Base-Backbone interact. energy: -0.036
local terms energy: -55.506800
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -9.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -176.967043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.967043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.967043 (E_RNA)
where:
Base-Base interactions energy: -107.191
where: short stacking energy: -52.017
Base-Backbone interact. energy: -0.290
local terms energy: -69.485249
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -156.853164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.853164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.853164 (E_RNA)
where:
Base-Base interactions energy: -102.126
where: short stacking energy: -42.736
Base-Backbone interact. energy: -0.201
local terms energy: -54.525572
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -86.685583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.685583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.685583 (E_RNA)
where:
Base-Base interactions energy: -30.991
where: short stacking energy: -30.991
Base-Backbone interact. energy: -0.215
local terms energy: -55.480049
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -126.813410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.813410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.813410 (E_RNA)
where:
Base-Base interactions energy: -67.163
where: short stacking energy: -47.659
Base-Backbone interact. energy: -0.907
local terms energy: -58.742671
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -9.583
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: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -90.115896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.115896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.115896 (E_RNA)
where:
Base-Base interactions energy: -38.082
where: short stacking energy: -25.303
Base-Backbone interact. energy: -0.990
local terms energy: -51.043556
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -1.195
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: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -90.521413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.521413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.521413 (E_RNA)
where:
Base-Base interactions energy: -37.716
where: short stacking energy: -34.826
Base-Backbone interact. energy: -0.169
local terms energy: -52.636286
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -3.949
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: 10, replica: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -83.238954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.238954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.238954 (E_RNA)
where:
Base-Base interactions energy: -31.040
where: short stacking energy: -20.823
Base-Backbone interact. energy: -0.147
local terms energy: -52.051543
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -3.591
tors. eta vs tors. theta energy: -1.892
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: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -205.868308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.868308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.868308 (E_RNA)
where:
Base-Base interactions energy: -135.087
where: short stacking energy: -64.736
Base-Backbone interact. energy: -0.002
local terms energy: -70.779134
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -17.380
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: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -186.267678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.267678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.267678 (E_RNA)
where:
Base-Base interactions energy: -122.424
where: short stacking energy: -60.214
Base-Backbone interact. energy: -0.230
local terms energy: -63.613473
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -12.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -188.702909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.702909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.702909 (E_RNA)
where:
Base-Base interactions energy: -117.769
where: short stacking energy: -66.799
Base-Backbone interact. energy: -0.151
local terms energy: -70.783582
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -18.840
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: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -181.666882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.666882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.666882 (E_RNA)
where:
Base-Base interactions energy: -113.776
where: short stacking energy: -49.436
Base-Backbone interact. energy: -0.042
local terms energy: -67.848967
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -11.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -180.144793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.144793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.144793 (E_RNA)
where:
Base-Base interactions energy: -120.427
where: short stacking energy: -56.071
Base-Backbone interact. energy: -0.567
local terms energy: -59.150824
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -7.259
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: 6, replica: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -96.322503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.322503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.322503 (E_RNA)
where:
Base-Base interactions energy: -36.127
where: short stacking energy: -36.127
Base-Backbone interact. energy: -0.105
local terms energy: -60.090960
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -12.727
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: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -127.801290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.801290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.801290 (E_RNA)
where:
Base-Base interactions energy: -66.433
where: short stacking energy: -41.864
Base-Backbone interact. energy: -0.135
local terms energy: -61.232998
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -95.757486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.757486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.757486 (E_RNA)
where:
Base-Base interactions energy: -41.883
where: short stacking energy: -40.813
Base-Backbone interact. energy: -0.324
local terms energy: -53.550493
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -93.275949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.275949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.275949 (E_RNA)
where:
Base-Base interactions energy: -37.085
where: short stacking energy: -37.085
Base-Backbone interact. energy: -0.156
local terms energy: -56.034587
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -7.399
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: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -73.765158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.765158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.765158 (E_RNA)
where:
Base-Base interactions energy: -26.174
where: short stacking energy: -26.152
Base-Backbone interact. energy: 0.441
local terms energy: -48.032803
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: 0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -208.367023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.367023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.367023 (E_RNA)
where:
Base-Base interactions energy: -131.112
where: short stacking energy: -64.353
Base-Backbone interact. energy: -0.034
local terms energy: -77.221714
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -11.832
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: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -198.887683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.887683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.887683 (E_RNA)
where:
Base-Base interactions energy: -136.278
where: short stacking energy: -60.278
Base-Backbone interact. energy: -0.397
local terms energy: -62.212902
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -183.553829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.553829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.553829 (E_RNA)
where:
Base-Base interactions energy: -114.314
where: short stacking energy: -59.698
Base-Backbone interact. energy: -0.048
local terms energy: -69.191945
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -188.231893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.231893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.231893 (E_RNA)
where:
Base-Base interactions energy: -124.005
where: short stacking energy: -54.095
Base-Backbone interact. energy: -0.008
local terms energy: -64.219364
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -171.370878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.370878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.370878 (E_RNA)
where:
Base-Base interactions energy: -112.810
where: short stacking energy: -46.392
Base-Backbone interact. energy: -0.126
local terms energy: -58.434777
where:
bonds (distance) C4'-P energy: -5.303
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -10.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -113.572728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.572728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.572728 (E_RNA)
where:
Base-Base interactions energy: -53.253
where: short stacking energy: -42.619
Base-Backbone interact. energy: -0.045
local terms energy: -60.274580
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -90.595456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.595456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.595456 (E_RNA)
where:
Base-Base interactions energy: -34.693
where: short stacking energy: -34.693
Base-Backbone interact. energy: -0.170
local terms energy: -55.732335
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -91.994227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.994227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.994227 (E_RNA)
where:
Base-Base interactions energy: -44.997
where: short stacking energy: -44.997
Base-Backbone interact. energy: -0.654
local terms energy: -46.342866
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -2.546
tors. eta vs tors. theta energy: -7.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -76.175426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.175426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.175426 (E_RNA)
where:
Base-Base interactions energy: -39.919
where: short stacking energy: -25.539
Base-Backbone interact. energy: 0.902
local terms energy: -37.158028
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -10.275
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -1.336
tors. eta vs tors. theta energy: -0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -82.098978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.098978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.098978 (E_RNA)
where:
Base-Base interactions energy: -32.372
where: short stacking energy: -28.406
Base-Backbone interact. energy: 0.840
local terms energy: -50.566494
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -215.945389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.945389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.945389 (E_RNA)
where:
Base-Base interactions energy: -144.240
where: short stacking energy: -64.032
Base-Backbone interact. energy: -0.095
local terms energy: -71.610667
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -187.275855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.275855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.275855 (E_RNA)
where:
Base-Base interactions energy: -116.842
where: short stacking energy: -68.224
Base-Backbone interact. energy: 0.247
local terms energy: -70.680105
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -195.243764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.243764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.243764 (E_RNA)
where:
Base-Base interactions energy: -125.508
where: short stacking energy: -70.370
Base-Backbone interact. energy: 0.762
local terms energy: -70.497649
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -187.944812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.944812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.944812 (E_RNA)
where:
Base-Base interactions energy: -121.330
where: short stacking energy: -59.969
Base-Backbone interact. energy: -0.583
local terms energy: -66.032473
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -12.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -153.122219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.122219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.122219 (E_RNA)
where:
Base-Base interactions energy: -90.142
where: short stacking energy: -37.782
Base-Backbone interact. energy: -0.046
local terms energy: -62.934192
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -9.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -106.420260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.420260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.420260 (E_RNA)
where:
Base-Base interactions energy: -51.102
where: short stacking energy: -33.774
Base-Backbone interact. energy: 0.306
local terms energy: -55.624452
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -7.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -102.036296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.036296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.036296 (E_RNA)
where:
Base-Base interactions energy: -46.558
where: short stacking energy: -39.242
Base-Backbone interact. energy: -0.076
local terms energy: -55.402390
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -6.302
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: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -97.570930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.570930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.570930 (E_RNA)
where:
Base-Base interactions energy: -50.752
where: short stacking energy: -38.799
Base-Backbone interact. energy: -0.172
local terms energy: -46.647170
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -79.048445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.048445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.048445 (E_RNA)
where:
Base-Base interactions energy: -38.788
where: short stacking energy: -27.907
Base-Backbone interact. energy: -0.129
local terms energy: -40.131981
where:
bonds (distance) C4'-P energy: -7.083
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -7.078
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -81.458887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.458887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.458887 (E_RNA)
where:
Base-Base interactions energy: -31.922
where: short stacking energy: -24.790
Base-Backbone interact. energy: -0.216
local terms energy: -49.321177
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -212.700611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.700611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.700611 (E_RNA)
where:
Base-Base interactions energy: -143.142
where: short stacking energy: -63.956
Base-Backbone interact. energy: -0.790
local terms energy: -68.769216
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -9.353
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: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -184.194865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.194865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.194865 (E_RNA)
where:
Base-Base interactions energy: -115.946
where: short stacking energy: -45.634
Base-Backbone interact. energy: -0.348
local terms energy: -67.900932
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -8.445
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: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -203.358420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.358420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.358420 (E_RNA)
where:
Base-Base interactions energy: -134.394
where: short stacking energy: -65.703
Base-Backbone interact. energy: -0.001
local terms energy: -68.962986
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -184.841808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.841808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.841808 (E_RNA)
where:
Base-Base interactions energy: -119.609
where: short stacking energy: -55.680
Base-Backbone interact. energy: -1.120
local terms energy: -64.112683
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -166.628623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.628623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.628623 (E_RNA)
where:
Base-Base interactions energy: -102.712
where: short stacking energy: -44.040
Base-Backbone interact. energy: -0.046
local terms energy: -63.870508
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -107.870335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.870335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.870335 (E_RNA)
where:
Base-Base interactions energy: -55.117
where: short stacking energy: -39.394
Base-Backbone interact. energy: -0.151
local terms energy: -52.602524
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -8.826
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: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -94.945695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.945695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.945695 (E_RNA)
where:
Base-Base interactions energy: -33.174
where: short stacking energy: -33.174
Base-Backbone interact. energy: -0.013
local terms energy: -61.757923
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -8.477
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: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -99.182798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.182798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.182798 (E_RNA)
where:
Base-Base interactions energy: -47.627
where: short stacking energy: -31.532
Base-Backbone interact. energy: -0.055
local terms energy: -51.501263
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -78.032078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.032078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.032078 (E_RNA)
where:
Base-Base interactions energy: -29.331
where: short stacking energy: -26.707
Base-Backbone interact. energy: -0.117
local terms energy: -48.583606
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -77.591078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.591078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.591078 (E_RNA)
where:
Base-Base interactions energy: -24.627
where: short stacking energy: -24.627
Base-Backbone interact. energy: -0.011
local terms energy: -52.953283
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -216.231765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.231765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.231765 (E_RNA)
where:
Base-Base interactions energy: -144.171
where: short stacking energy: -62.406
Base-Backbone interact. energy: 1.039
local terms energy: -73.100159
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -195.050599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.050599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.050599 (E_RNA)
where:
Base-Base interactions energy: -116.364
where: short stacking energy: -67.656
Base-Backbone interact. energy: -0.002
local terms energy: -78.684661
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -20.478
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: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -197.510360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.510360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.510360 (E_RNA)
where:
Base-Base interactions energy: -122.493
where: short stacking energy: -67.668
Base-Backbone interact. energy: -0.015
local terms energy: -75.001567
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -168.703356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.703356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.703356 (E_RNA)
where:
Base-Base interactions energy: -108.488
where: short stacking energy: -47.909
Base-Backbone interact. energy: -0.278
local terms energy: -59.936709
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -173.947827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.947827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.947827 (E_RNA)
where:
Base-Base interactions energy: -121.873
where: short stacking energy: -53.023
Base-Backbone interact. energy: -0.007
local terms energy: -52.066920
where:
bonds (distance) C4'-P energy: -6.299
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -12.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -111.440924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.440924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.440924 (E_RNA)
where:
Base-Base interactions energy: -49.795
where: short stacking energy: -49.795
Base-Backbone interact. energy: -0.212
local terms energy: -61.433846
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -9.339
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: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -122.560682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.560682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.560682 (E_RNA)
where:
Base-Base interactions energy: -62.738
where: short stacking energy: -33.370
Base-Backbone interact. energy: -0.142
local terms energy: -59.680801
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -81.931186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.931186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.931186 (E_RNA)
where:
Base-Base interactions energy: -33.067
where: short stacking energy: -27.447
Base-Backbone interact. energy: -0.068
local terms energy: -48.796251
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -90.314967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.314967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.314967 (E_RNA)
where:
Base-Base interactions energy: -34.329
where: short stacking energy: -30.345
Base-Backbone interact. energy: -1.159
local terms energy: -54.826749
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: 2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -98.065572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.065572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.065572 (E_RNA)
where:
Base-Base interactions energy: -37.041
where: short stacking energy: -36.340
Base-Backbone interact. energy: -0.154
local terms energy: -60.871393
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -214.125010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.125010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.125010 (E_RNA)
where:
Base-Base interactions energy: -141.720
where: short stacking energy: -63.840
Base-Backbone interact. energy: -0.127
local terms energy: -72.277419
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -192.805457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.805457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.805457 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -67.975
Base-Backbone interact. energy: -0.008
local terms energy: -63.163730
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -196.081821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.081821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.081821 (E_RNA)
where:
Base-Base interactions energy: -129.779
where: short stacking energy: -68.096
Base-Backbone interact. energy: -0.019
local terms energy: -66.284109
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -8.747
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -182.835994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.835994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.835994 (E_RNA)
where:
Base-Base interactions energy: -117.941
where: short stacking energy: -54.101
Base-Backbone interact. energy: -0.707
local terms energy: -64.188352
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -10.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -178.531490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.531490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.531490 (E_RNA)
where:
Base-Base interactions energy: -117.754
where: short stacking energy: -48.172
Base-Backbone interact. energy: -0.554
local terms energy: -60.224174
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -116.750721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.750721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.750721 (E_RNA)
where:
Base-Base interactions energy: -58.144
where: short stacking energy: -33.998
Base-Backbone interact. energy: -0.024
local terms energy: -58.582383
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -8.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -91.937533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.937533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.937533 (E_RNA)
where:
Base-Base interactions energy: -48.774
where: short stacking energy: -22.605
Base-Backbone interact. energy: 4.244
local terms energy: -47.407590
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -83.349551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.349551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.349551 (E_RNA)
where:
Base-Base interactions energy: -42.531
where: short stacking energy: -23.703
Base-Backbone interact. energy: -0.507
local terms energy: -40.311979
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: 1.271
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: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -79.703336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.703336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.703336 (E_RNA)
where:
Base-Base interactions energy: -31.238
where: short stacking energy: -25.152
Base-Backbone interact. energy: 0.936
local terms energy: -49.400641
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -74.740207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.740207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.740207 (E_RNA)
where:
Base-Base interactions energy: -29.592
where: short stacking energy: -19.135
Base-Backbone interact. energy: -0.229
local terms energy: -44.918916
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -1.318
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: 1, replica: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -196.145192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.145192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.145192 (E_RNA)
where:
Base-Base interactions energy: -123.388
where: short stacking energy: -70.181
Base-Backbone interact. energy: -0.482
local terms energy: -72.275243
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -196.821177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.821177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.821177 (E_RNA)
where:
Base-Base interactions energy: -125.373
where: short stacking energy: -53.276
Base-Backbone interact. energy: -0.260
local terms energy: -71.188210
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -16.710
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: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -182.230877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.230877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.230877 (E_RNA)
where:
Base-Base interactions energy: -114.016
where: short stacking energy: -56.697
Base-Backbone interact. energy: -0.613
local terms energy: -67.601334
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -189.591624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.591624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.591624 (E_RNA)
where:
Base-Base interactions energy: -120.947
where: short stacking energy: -54.214
Base-Backbone interact. energy: -0.176
local terms energy: -68.467929
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -9.874
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: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -163.565725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.565725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.565725 (E_RNA)
where:
Base-Base interactions energy: -105.118
where: short stacking energy: -49.101
Base-Backbone interact. energy: -0.010
local terms energy: -58.437557
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -10.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -110.064591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.064591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.064591 (E_RNA)
where:
Base-Base interactions energy: -53.460
where: short stacking energy: -41.539
Base-Backbone interact. energy: 0.021
local terms energy: -56.625815
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -91.506339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.506339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.506339 (E_RNA)
where:
Base-Base interactions energy: -41.905
where: short stacking energy: -26.769
Base-Backbone interact. energy: 0.265
local terms energy: -49.866055
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -111.480923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.480923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.480923 (E_RNA)
where:
Base-Base interactions energy: -60.547
where: short stacking energy: -33.809
Base-Backbone interact. energy: -0.178
local terms energy: -50.755727
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -82.984540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.984540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.984540 (E_RNA)
where:
Base-Base interactions energy: -33.641
where: short stacking energy: -29.872
Base-Backbone interact. energy: -0.131
local terms energy: -49.212918
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -80.228135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.228135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.228135 (E_RNA)
where:
Base-Base interactions energy: -27.141
where: short stacking energy: -15.724
Base-Backbone interact. energy: -0.209
local terms energy: -52.878047
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -0.243
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: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -203.241336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.241336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.241336 (E_RNA)
where:
Base-Base interactions energy: -133.120
where: short stacking energy: -68.674
Base-Backbone interact. energy: -0.023
local terms energy: -70.098131
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -19.127
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: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -202.136589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.136589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.136589 (E_RNA)
where:
Base-Base interactions energy: -134.426
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.382
local terms energy: -67.328822
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -177.471705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.471705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.471705 (E_RNA)
where:
Base-Base interactions energy: -114.115
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.290
local terms energy: -63.067219
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -192.062299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.062299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.062299 (E_RNA)
where:
Base-Base interactions energy: -124.752
where: short stacking energy: -58.350
Base-Backbone interact. energy: -0.027
local terms energy: -67.283216
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -12.752
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: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -161.280578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.280578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.280578 (E_RNA)
where:
Base-Base interactions energy: -96.086
where: short stacking energy: -54.204
Base-Backbone interact. energy: -0.000
local terms energy: -65.193655
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -106.537252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.537252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.537252 (E_RNA)
where:
Base-Base interactions energy: -59.064
where: short stacking energy: -28.091
Base-Backbone interact. energy: -0.554
local terms energy: -46.920069
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -90.789207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.789207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.789207 (E_RNA)
where:
Base-Base interactions energy: -42.741
where: short stacking energy: -33.876
Base-Backbone interact. energy: -0.242
local terms energy: -47.805819
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -91.727555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.727555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.727555 (E_RNA)
where:
Base-Base interactions energy: -38.609
where: short stacking energy: -22.031
Base-Backbone interact. energy: -0.428
local terms energy: -52.690653
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -79.239186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.239186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.239186 (E_RNA)
where:
Base-Base interactions energy: -31.241
where: short stacking energy: -24.020
Base-Backbone interact. energy: -0.143
local terms energy: -47.855161
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -85.546574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.546574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.546574 (E_RNA)
where:
Base-Base interactions energy: -28.581
where: short stacking energy: -26.895
Base-Backbone interact. energy: -0.200
local terms energy: -56.765570
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -8.436
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: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -210.437492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.437492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.437492 (E_RNA)
where:
Base-Base interactions energy: -143.728
where: short stacking energy: -60.777
Base-Backbone interact. energy: -0.006
local terms energy: -66.703657
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -203.653858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.653858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.653858 (E_RNA)
where:
Base-Base interactions energy: -130.669
where: short stacking energy: -65.187
Base-Backbone interact. energy: -0.019
local terms energy: -72.966158
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -193.340444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.340444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.340444 (E_RNA)
where:
Base-Base interactions energy: -132.883
where: short stacking energy: -50.516
Base-Backbone interact. energy: -0.237
local terms energy: -60.220024
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -12.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -184.712158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.712158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.712158 (E_RNA)
where:
Base-Base interactions energy: -116.496
where: short stacking energy: -51.514
Base-Backbone interact. energy: 0.340
local terms energy: -68.556288
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -160.864997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.864997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.864997 (E_RNA)
where:
Base-Base interactions energy: -105.992
where: short stacking energy: -33.977
Base-Backbone interact. energy: -0.347
local terms energy: -54.526456
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -7.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -112.818818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.818818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.818818 (E_RNA)
where:
Base-Base interactions energy: -62.380
where: short stacking energy: -37.990
Base-Backbone interact. energy: 1.918
local terms energy: -52.356921
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -1.523
tors. eta vs tors. theta energy: -10.121
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: 7, replica: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -93.090086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.090086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.090086 (E_RNA)
where:
Base-Base interactions energy: -39.002
where: short stacking energy: -39.002
Base-Backbone interact. energy: -0.112
local terms energy: -53.976468
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -84.269334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.269334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.269334 (E_RNA)
where:
Base-Base interactions energy: -38.136
where: short stacking energy: -27.396
Base-Backbone interact. energy: -0.231
local terms energy: -45.902030
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -101.025647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.025647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.025647 (E_RNA)
where:
Base-Base interactions energy: -40.082
where: short stacking energy: -31.688
Base-Backbone interact. energy: -0.342
local terms energy: -60.601230
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -73.043089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.043089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.043089 (E_RNA)
where:
Base-Base interactions energy: -29.331
where: short stacking energy: -27.236
Base-Backbone interact. energy: -0.193
local terms energy: -43.519010
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -210.552666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.552666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.552666 (E_RNA)
where:
Base-Base interactions energy: -140.690
where: short stacking energy: -52.740
Base-Backbone interact. energy: -0.012
local terms energy: -69.851035
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -11.549
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: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -192.590664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.590664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.590664 (E_RNA)
where:
Base-Base interactions energy: -124.861
where: short stacking energy: -56.317
Base-Backbone interact. energy: -0.136
local terms energy: -67.593266
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -16.860
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: 3, replica: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -198.527460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.527460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.527460 (E_RNA)
where:
Base-Base interactions energy: -137.189
where: short stacking energy: -47.457
Base-Backbone interact. energy: 2.605
local terms energy: -63.942706
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -9.496
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: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -186.328434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.328434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.328434 (E_RNA)
where:
Base-Base interactions energy: -119.116
where: short stacking energy: -63.172
Base-Backbone interact. energy: -0.153
local terms energy: -67.058992
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -14.889
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: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -162.938349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.938349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.938349 (E_RNA)
where:
Base-Base interactions energy: -97.470
where: short stacking energy: -45.596
Base-Backbone interact. energy: -0.050
local terms energy: -65.417767
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -98.269792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.269792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.269792 (E_RNA)
where:
Base-Base interactions energy: -44.356
where: short stacking energy: -40.176
Base-Backbone interact. energy: -0.224
local terms energy: -53.690352
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -96.122405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.122405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.122405 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -35.019
Base-Backbone interact. energy: -0.277
local terms energy: -60.826881
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -5.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -83.297395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.297395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.297395 (E_RNA)
where:
Base-Base interactions energy: -35.232
where: short stacking energy: -22.699
Base-Backbone interact. energy: -0.205
local terms energy: -47.860603
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: 1.021
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: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -83.462778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.462778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.462778 (E_RNA)
where:
Base-Base interactions energy: -36.263
where: short stacking energy: -22.487
Base-Backbone interact. energy: 0.003
local terms energy: -47.202841
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -7.377
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -2.182
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: 5
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -89.467793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.467793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.467793 (E_RNA)
where:
Base-Base interactions energy: -33.655
where: short stacking energy: -35.204
Base-Backbone interact. energy: -0.422
local terms energy: -55.390962
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -206.224962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.224962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.224962 (E_RNA)
where:
Base-Base interactions energy: -132.874
where: short stacking energy: -57.595
Base-Backbone interact. energy: -0.207
local terms energy: -73.143371
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -10.034
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: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -203.421220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.421220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.421220 (E_RNA)
where:
Base-Base interactions energy: -133.889
where: short stacking energy: -65.021
Base-Backbone interact. energy: -0.055
local terms energy: -69.476854
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -194.349073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.349073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.349073 (E_RNA)
where:
Base-Base interactions energy: -125.748
where: short stacking energy: -67.199
Base-Backbone interact. energy: -2.235
local terms energy: -66.366017
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -18.304
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: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -180.676561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.676561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.676561 (E_RNA)
where:
Base-Base interactions energy: -116.963
where: short stacking energy: -67.726
Base-Backbone interact. energy: -0.469
local terms energy: -63.244555
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -17.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -165.063794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.063794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.063794 (E_RNA)
where:
Base-Base interactions energy: -97.747
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.025
local terms energy: -67.291958
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -17.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -96.826022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.826022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.826022 (E_RNA)
where:
Base-Base interactions energy: -34.746
where: short stacking energy: -32.675
Base-Backbone interact. energy: -0.184
local terms energy: -61.895876
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -87.079286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.079286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.079286 (E_RNA)
where:
Base-Base interactions energy: -34.448
where: short stacking energy: -29.950
Base-Backbone interact. energy: 2.236
local terms energy: -54.866666
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -89.577726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.577726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.577726 (E_RNA)
where:
Base-Base interactions energy: -40.863
where: short stacking energy: -34.826
Base-Backbone interact. energy: -0.142
local terms energy: -48.572246
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -89.892646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.892646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.892646 (E_RNA)
where:
Base-Base interactions energy: -26.577
where: short stacking energy: -26.577
Base-Backbone interact. energy: -0.013
local terms energy: -63.302974
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -6.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -79.593988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.593988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.593988 (E_RNA)
where:
Base-Base interactions energy: -37.887
where: short stacking energy: -31.672
Base-Backbone interact. energy: 0.279
local terms energy: -41.985727
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -206.246632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.246632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.246632 (E_RNA)
where:
Base-Base interactions energy: -130.335
where: short stacking energy: -65.547
Base-Backbone interact. energy: -0.256
local terms energy: -75.655552
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -14.410
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: 2, replica: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -205.800681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.800681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.800681 (E_RNA)
where:
Base-Base interactions energy: -136.340
where: short stacking energy: -60.101
Base-Backbone interact. energy: 0.475
local terms energy: -69.935994
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -15.037
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: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -184.875806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.875806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.875806 (E_RNA)
where:
Base-Base interactions energy: -121.472
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.182
local terms energy: -63.222625
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -14.002
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: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -201.250437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.250437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.250437 (E_RNA)
where:
Base-Base interactions energy: -137.777
where: short stacking energy: -60.007
Base-Backbone interact. energy: 1.155
local terms energy: -64.628790
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -12.601
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: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -161.322904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.322904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.322904 (E_RNA)
where:
Base-Base interactions energy: -98.021
where: short stacking energy: -39.806
Base-Backbone interact. energy: 0.523
local terms energy: -63.825080
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -102.652700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.652700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.652700 (E_RNA)
where:
Base-Base interactions energy: -49.245
where: short stacking energy: -25.640
Base-Backbone interact. energy: 0.988
local terms energy: -54.395697
where:
bonds (distance) C4'-P energy: -8.037
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -6.515
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: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -94.333197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.333197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.333197 (E_RNA)
where:
Base-Base interactions energy: -36.159
where: short stacking energy: -24.912
Base-Backbone interact. energy: -0.202
local terms energy: -57.971503
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -94.345624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.345624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.345624 (E_RNA)
where:
Base-Base interactions energy: -34.694
where: short stacking energy: -34.694
Base-Backbone interact. energy: -0.092
local terms energy: -59.559962
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -7.692
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: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -87.052991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.052991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.052991 (E_RNA)
where:
Base-Base interactions energy: -27.041
where: short stacking energy: -26.792
Base-Backbone interact. energy: -0.295
local terms energy: -59.717396
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -83.537482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.537482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.537482 (E_RNA)
where:
Base-Base interactions energy: -36.202
where: short stacking energy: -32.753
Base-Backbone interact. energy: -0.018
local terms energy: -47.317096
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -190.816787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.816787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.816787 (E_RNA)
where:
Base-Base interactions energy: -125.882
where: short stacking energy: -52.502
Base-Backbone interact. energy: 0.543
local terms energy: -65.477793
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -201.323554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.323554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.323554 (E_RNA)
where:
Base-Base interactions energy: -121.530
where: short stacking energy: -58.407
Base-Backbone interact. energy: -0.077
local terms energy: -79.717090
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -187.216655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.216655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.216655 (E_RNA)
where:
Base-Base interactions energy: -117.258
where: short stacking energy: -64.785
Base-Backbone interact. energy: -0.054
local terms energy: -69.904208
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -17.816
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: 10
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -179.309778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.309778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.309778 (E_RNA)
where:
Base-Base interactions energy: -115.395
where: short stacking energy: -56.089
Base-Backbone interact. energy: -0.003
local terms energy: -63.912735
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -7.594
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: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -172.359017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.359017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.359017 (E_RNA)
where:
Base-Base interactions energy: -109.642
where: short stacking energy: -50.010
Base-Backbone interact. energy: -0.027
local terms energy: -62.689775
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -85.814991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.814991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.814991 (E_RNA)
where:
Base-Base interactions energy: -33.399
where: short stacking energy: -30.280
Base-Backbone interact. energy: -0.816
local terms energy: -51.599866
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -9.041
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -4.963
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: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -89.093034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.093034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.093034 (E_RNA)
where:
Base-Base interactions energy: -37.410
where: short stacking energy: -25.945
Base-Backbone interact. energy: -0.107
local terms energy: -51.576619
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -85.185321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.185321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.185321 (E_RNA)
where:
Base-Base interactions energy: -29.816
where: short stacking energy: -29.133
Base-Backbone interact. energy: 0.418
local terms energy: -55.787345
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -84.853356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.853356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.853356 (E_RNA)
where:
Base-Base interactions energy: -36.066
where: short stacking energy: -31.324
Base-Backbone interact. energy: -0.111
local terms energy: -48.676292
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -0.725
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -86.978261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.978261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.978261 (E_RNA)
where:
Base-Base interactions energy: -38.504
where: short stacking energy: -28.099
Base-Backbone interact. energy: -0.509
local terms energy: -47.965504
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -193.787205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.787205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.787205 (E_RNA)
where:
Base-Base interactions energy: -126.794
where: short stacking energy: -59.013
Base-Backbone interact. energy: -0.065
local terms energy: -66.928346
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -201.195744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.195744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.195744 (E_RNA)
where:
Base-Base interactions energy: -128.505
where: short stacking energy: -65.225
Base-Backbone interact. energy: -0.007
local terms energy: -72.684395
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -192.474907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.474907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.474907 (E_RNA)
where:
Base-Base interactions energy: -126.747
where: short stacking energy: -60.992
Base-Backbone interact. energy: -0.011
local terms energy: -65.716824
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -10.904
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: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -184.435535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.435535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.435535 (E_RNA)
where:
Base-Base interactions energy: -119.000
where: short stacking energy: -51.436
Base-Backbone interact. energy: -0.781
local terms energy: -64.654692
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -173.856367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.856367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.856367 (E_RNA)
where:
Base-Base interactions energy: -102.281
where: short stacking energy: -47.042
Base-Backbone interact. energy: -0.390
local terms energy: -71.185646
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -12.008
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: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -102.616989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.616989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.616989 (E_RNA)
where:
Base-Base interactions energy: -41.325
where: short stacking energy: -41.325
Base-Backbone interact. energy: -0.098
local terms energy: -61.193690
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -10.884
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: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -91.495703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.495703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.495703 (E_RNA)
where:
Base-Base interactions energy: -41.509
where: short stacking energy: -30.823
Base-Backbone interact. energy: -0.369
local terms energy: -49.617819
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -85.781553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.781553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.781553 (E_RNA)
where:
Base-Base interactions energy: -39.218
where: short stacking energy: -25.809
Base-Backbone interact. energy: -0.202
local terms energy: -46.361626
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -7.997
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: -1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -86.436478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.436478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.436478 (E_RNA)
where:
Base-Base interactions energy: -27.296
where: short stacking energy: -27.296
Base-Backbone interact. energy: -0.114
local terms energy: -59.026643
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -88.366501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.366501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.366501 (E_RNA)
where:
Base-Base interactions energy: -46.555
where: short stacking energy: -27.134
Base-Backbone interact. energy: -0.092
local terms energy: -41.718767
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -6.742
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -5.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -215.254449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.254449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.254449 (E_RNA)
where:
Base-Base interactions energy: -134.316
where: short stacking energy: -71.455
Base-Backbone interact. energy: 1.172
local terms energy: -82.110568
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -205.335932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.335932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.335932 (E_RNA)
where:
Base-Base interactions energy: -142.548
where: short stacking energy: -54.528
Base-Backbone interact. energy: -0.709
local terms energy: -62.079468
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -11.045
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: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -189.634194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.634194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.634194 (E_RNA)
where:
Base-Base interactions energy: -122.917
where: short stacking energy: -59.481
Base-Backbone interact. energy: -0.400
local terms energy: -66.317824
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -180.737995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.737995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.737995 (E_RNA)
where:
Base-Base interactions energy: -114.006
where: short stacking energy: -47.929
Base-Backbone interact. energy: -0.229
local terms energy: -66.502400
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -13.751
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: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -189.385628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.385628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.385628 (E_RNA)
where:
Base-Base interactions energy: -122.288
where: short stacking energy: -52.617
Base-Backbone interact. energy: -0.104
local terms energy: -66.993355
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -12.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -98.856257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.856257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.856257 (E_RNA)
where:
Base-Base interactions energy: -38.354
where: short stacking energy: -24.047
Base-Backbone interact. energy: -0.168
local terms energy: -60.333837
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -102.715582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.715582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.715582 (E_RNA)
where:
Base-Base interactions energy: -45.092
where: short stacking energy: -42.219
Base-Backbone interact. energy: -0.006
local terms energy: -57.617113
where:
bonds (distance) C4'-P energy: -8.552
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -87.116386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.116386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.116386 (E_RNA)
where:
Base-Base interactions energy: -49.944
where: short stacking energy: -37.612
Base-Backbone interact. energy: -0.734
local terms energy: -36.437502
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -3.110
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -1.233
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: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -88.806183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.806183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.806183 (E_RNA)
where:
Base-Base interactions energy: -30.391
where: short stacking energy: -30.148
Base-Backbone interact. energy: 0.092
local terms energy: -58.507413
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -13.028
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: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -78.375615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.375615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.375615 (E_RNA)
where:
Base-Base interactions energy: -30.616
where: short stacking energy: -30.616
Base-Backbone interact. energy: -0.160
local terms energy: -47.600126
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -204.661318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.661318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.661318 (E_RNA)
where:
Base-Base interactions energy: -127.171
where: short stacking energy: -73.075
Base-Backbone interact. energy: -0.006
local terms energy: -77.484952
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -21.757
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: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -204.842122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.842122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.842122 (E_RNA)
where:
Base-Base interactions energy: -146.685
where: short stacking energy: -56.688
Base-Backbone interact. energy: -0.317
local terms energy: -57.840876
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -9.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -191.872714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.872714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.872714 (E_RNA)
where:
Base-Base interactions energy: -126.501
where: short stacking energy: -65.239
Base-Backbone interact. energy: -0.029
local terms energy: -65.342083
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -191.785112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.785112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.785112 (E_RNA)
where:
Base-Base interactions energy: -115.199
where: short stacking energy: -53.159
Base-Backbone interact. energy: -0.005
local terms energy: -76.580806
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -176.339988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.339988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.339988 (E_RNA)
where:
Base-Base interactions energy: -113.531
where: short stacking energy: -49.106
Base-Backbone interact. energy: -0.013
local terms energy: -62.796234
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -104.212398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.212398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.212398 (E_RNA)
where:
Base-Base interactions energy: -51.075
where: short stacking energy: -46.652
Base-Backbone interact. energy: -0.776
local terms energy: -52.361722
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -7.690
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -87.294552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.294552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.294552 (E_RNA)
where:
Base-Base interactions energy: -46.657
where: short stacking energy: -35.221
Base-Backbone interact. energy: -0.296
local terms energy: -40.341505
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -8.160
flat angles P-C4'-P energy: -4.358
tors. eta vs tors. theta energy: -6.500
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: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -98.244817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.244817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.244817 (E_RNA)
where:
Base-Base interactions energy: -39.005
where: short stacking energy: -38.199
Base-Backbone interact. energy: -0.047
local terms energy: -59.191982
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -76.832017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.832017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.832017 (E_RNA)
where:
Base-Base interactions energy: -29.136
where: short stacking energy: -24.205
Base-Backbone interact. energy: -0.152
local terms energy: -47.543149
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -83.003200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.003200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.003200 (E_RNA)
where:
Base-Base interactions energy: -33.254
where: short stacking energy: -25.729
Base-Backbone interact. energy: -0.084
local terms energy: -49.664986
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: 0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -208.012575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.012575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.012575 (E_RNA)
where:
Base-Base interactions energy: -128.340
where: short stacking energy: -72.359
Base-Backbone interact. energy: -0.001
local terms energy: -79.671296
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -12.570
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: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -202.474827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.474827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.474827 (E_RNA)
where:
Base-Base interactions energy: -141.096
where: short stacking energy: -51.823
Base-Backbone interact. energy: -0.041
local terms energy: -61.337738
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -191.550154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.550154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.550154 (E_RNA)
where:
Base-Base interactions energy: -124.066
where: short stacking energy: -60.350
Base-Backbone interact. energy: -0.090
local terms energy: -67.393461
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -17.427
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: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -191.346177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.346177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.346177 (E_RNA)
where:
Base-Base interactions energy: -123.015
where: short stacking energy: -63.782
Base-Backbone interact. energy: -0.127
local terms energy: -68.204354
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -10.351
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: 5, replica: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -207.561682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.561682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.561682 (E_RNA)
where:
Base-Base interactions energy: -134.536
where: short stacking energy: -53.382
Base-Backbone interact. energy: -0.007
local terms energy: -73.018510
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -12.994
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: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -97.657920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.657920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.657920 (E_RNA)
where:
Base-Base interactions energy: -46.666
where: short stacking energy: -42.479
Base-Backbone interact. energy: -0.120
local terms energy: -50.872468
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: 0.441
tors. eta vs tors. theta energy: -8.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -94.424840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.424840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.424840 (E_RNA)
where:
Base-Base interactions energy: -38.851
where: short stacking energy: -38.851
Base-Backbone interact. energy: 0.677
local terms energy: -56.251508
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -82.563447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.563447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.563447 (E_RNA)
where:
Base-Base interactions energy: -33.381
where: short stacking energy: -32.323
Base-Backbone interact. energy: -0.105
local terms energy: -49.077235
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -79.241715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.241715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.241715 (E_RNA)
where:
Base-Base interactions energy: -28.038
where: short stacking energy: -26.081
Base-Backbone interact. energy: -0.267
local terms energy: -50.936576
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -88.471094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.471094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.471094 (E_RNA)
where:
Base-Base interactions energy: -41.239
where: short stacking energy: -40.651
Base-Backbone interact. energy: -0.079
local terms energy: -47.152658
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -4.412
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -207.717052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.717052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.717052 (E_RNA)
where:
Base-Base interactions energy: -134.492
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.001
local terms energy: -73.223500
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -201.557991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.557991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.557991 (E_RNA)
where:
Base-Base interactions energy: -137.295
where: short stacking energy: -62.202
Base-Backbone interact. energy: -0.288
local terms energy: -63.974522
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -8.101
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: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -194.057376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.057376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.057376 (E_RNA)
where:
Base-Base interactions energy: -134.622
where: short stacking energy: -50.808
Base-Backbone interact. energy: -0.223
local terms energy: -59.211920
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -198.091511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.091511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.091511 (E_RNA)
where:
Base-Base interactions energy: -128.006
where: short stacking energy: -64.776
Base-Backbone interact. energy: -0.264
local terms energy: -69.821976
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -10.589
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: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -165.506231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.506231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.506231 (E_RNA)
where:
Base-Base interactions energy: -93.610
where: short stacking energy: -50.013
Base-Backbone interact. energy: -0.807
local terms energy: -71.089433
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -14.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -101.533516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.533516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.533516 (E_RNA)
where:
Base-Base interactions energy: -36.723
where: short stacking energy: -36.723
Base-Backbone interact. energy: -0.107
local terms energy: -64.702988
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -13.865
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: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -89.859317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.859317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.859317 (E_RNA)
where:
Base-Base interactions energy: -32.423
where: short stacking energy: -26.896
Base-Backbone interact. energy: -1.637
local terms energy: -55.798695
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -82.776383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.776383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.776383 (E_RNA)
where:
Base-Base interactions energy: -31.025
where: short stacking energy: -24.505
Base-Backbone interact. energy: -0.902
local terms energy: -50.849379
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -88.572425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.572425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.572425 (E_RNA)
where:
Base-Base interactions energy: -39.564
where: short stacking energy: -32.753
Base-Backbone interact. energy: -1.223
local terms energy: -47.785532
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -1.204
tors. eta vs tors. theta energy: -6.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -92.497070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.497070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.497070 (E_RNA)
where:
Base-Base interactions energy: -41.181
where: short stacking energy: -30.438
Base-Backbone interact. energy: -0.845
local terms energy: -50.471493
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -203.344914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.344914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.344914 (E_RNA)
where:
Base-Base interactions energy: -129.843
where: short stacking energy: -63.852
Base-Backbone interact. energy: -0.015
local terms energy: -73.487478
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -198.727536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.727536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.727536 (E_RNA)
where:
Base-Base interactions energy: -134.596
where: short stacking energy: -57.750
Base-Backbone interact. energy: -0.039
local terms energy: -64.092752
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -11.031
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: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -196.284502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.284502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.284502 (E_RNA)
where:
Base-Base interactions energy: -126.192
where: short stacking energy: -58.365
Base-Backbone interact. energy: -0.736
local terms energy: -69.356708
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -184.141437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.141437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.141437 (E_RNA)
where:
Base-Base interactions energy: -131.199
where: short stacking energy: -41.021
Base-Backbone interact. energy: -1.000
local terms energy: -51.942564
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -107.643049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.643049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.643049 (E_RNA)
where:
Base-Base interactions energy: -51.782
where: short stacking energy: -43.552
Base-Backbone interact. energy: -0.001
local terms energy: -55.859533
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -161.421191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.421191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.421191 (E_RNA)
where:
Base-Base interactions energy: -99.612
where: short stacking energy: -45.004
Base-Backbone interact. energy: -0.153
local terms energy: -61.656289
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -96.732090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.732090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.732090 (E_RNA)
where:
Base-Base interactions energy: -47.931
where: short stacking energy: -37.316
Base-Backbone interact. energy: -0.087
local terms energy: -48.714298
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -90.067604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.067604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.067604 (E_RNA)
where:
Base-Base interactions energy: -39.463
where: short stacking energy: -39.163
Base-Backbone interact. energy: 2.090
local terms energy: -52.693917
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -9.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -90.355262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.355262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.355262 (E_RNA)
where:
Base-Base interactions energy: -37.987
where: short stacking energy: -36.497
Base-Backbone interact. energy: -0.035
local terms energy: -52.333006
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -7.719
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: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -72.674183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.674183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.674183 (E_RNA)
where:
Base-Base interactions energy: -33.641
where: short stacking energy: -11.506
Base-Backbone interact. energy: -0.052
local terms energy: -38.981793
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: 7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -203.822628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.822628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.822628 (E_RNA)
where:
Base-Base interactions energy: -130.847
where: short stacking energy: -63.338
Base-Backbone interact. energy: -1.234
local terms energy: -71.741802
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -195.863064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.863064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.863064 (E_RNA)
where:
Base-Base interactions energy: -127.034
where: short stacking energy: -70.307
Base-Backbone interact. energy: -0.041
local terms energy: -68.788607
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -177.790179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.790179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.790179 (E_RNA)
where:
Base-Base interactions energy: -117.445
where: short stacking energy: -59.732
Base-Backbone interact. energy: -0.055
local terms energy: -60.290332
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -173.634105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.634105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.634105 (E_RNA)
where:
Base-Base interactions energy: -113.505
where: short stacking energy: -45.175
Base-Backbone interact. energy: -0.461
local terms energy: -59.668475
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -113.415852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.415852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.415852 (E_RNA)
where:
Base-Base interactions energy: -50.295
where: short stacking energy: -50.295
Base-Backbone interact. energy: -0.004
local terms energy: -63.117038
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -8.050
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -170.678974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.678974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.678974 (E_RNA)
where:
Base-Base interactions energy: -112.451
where: short stacking energy: -56.757
Base-Backbone interact. energy: -0.297
local terms energy: -57.930787
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -9.075
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -105.388185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.388185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.388185 (E_RNA)
where:
Base-Base interactions energy: -48.635
where: short stacking energy: -32.385
Base-Backbone interact. energy: -0.803
local terms energy: -55.950288
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -9.200
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: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -97.682897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.682897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.682897 (E_RNA)
where:
Base-Base interactions energy: -41.337
where: short stacking energy: -25.639
Base-Backbone interact. energy: -0.147
local terms energy: -56.199521
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -0.797
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: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -82.770167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.770167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.770167 (E_RNA)
where:
Base-Base interactions energy: -35.374
where: short stacking energy: -30.603
Base-Backbone interact. energy: -0.024
local terms energy: -47.371570
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: 2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -93.081123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.081123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.081123 (E_RNA)
where:
Base-Base interactions energy: -49.831
where: short stacking energy: -41.251
Base-Backbone interact. energy: -0.194
local terms energy: -43.056285
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -8.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -180.535964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.535964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.535964 (E_RNA)
where:
Base-Base interactions energy: -113.502
where: short stacking energy: -69.038
Base-Backbone interact. energy: -0.002
local terms energy: -67.032095
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -11.438
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: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -196.413744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.413744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.413744 (E_RNA)
where:
Base-Base interactions energy: -131.554
where: short stacking energy: -51.475
Base-Backbone interact. energy: -0.768
local terms energy: -64.091923
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -10.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -186.358712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.358712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.358712 (E_RNA)
where:
Base-Base interactions energy: -117.025
where: short stacking energy: -47.647
Base-Backbone interact. energy: -0.070
local terms energy: -69.263547
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -174.937388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.937388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.937388 (E_RNA)
where:
Base-Base interactions energy: -115.203
where: short stacking energy: -55.434
Base-Backbone interact. energy: -0.168
local terms energy: -59.566255
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -11.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -169.780708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.780708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.780708 (E_RNA)
where:
Base-Base interactions energy: -113.775
where: short stacking energy: -47.490
Base-Backbone interact. energy: 0.211
local terms energy: -56.216963
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -10.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -92.152854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.152854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.152854 (E_RNA)
where:
Base-Base interactions energy: -29.654
where: short stacking energy: -29.575
Base-Backbone interact. energy: -0.172
local terms energy: -62.326645
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -94.267717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.267717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.267717 (E_RNA)
where:
Base-Base interactions energy: -49.177
where: short stacking energy: -32.230
Base-Backbone interact. energy: 0.228
local terms energy: -45.318571
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -0.242
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -85.442235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.442235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.442235 (E_RNA)
where:
Base-Base interactions energy: -31.236
where: short stacking energy: -30.490
Base-Backbone interact. energy: -0.226
local terms energy: -53.980362
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -93.370494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.370494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.370494 (E_RNA)
where:
Base-Base interactions energy: -50.671
where: short stacking energy: -31.731
Base-Backbone interact. energy: -0.179
local terms energy: -42.520579
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -8.957
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -6.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -87.915623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.915623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.915623 (E_RNA)
where:
Base-Base interactions energy: -36.727
where: short stacking energy: -35.675
Base-Backbone interact. energy: -0.042
local terms energy: -51.147112
where:
bonds (distance) C4'-P energy: -4.012
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -3.959
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: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -189.474563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.474563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.474563 (E_RNA)
where:
Base-Base interactions energy: -115.644
where: short stacking energy: -64.560
Base-Backbone interact. energy: -0.010
local terms energy: -73.821265
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -182.636252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.636252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.636252 (E_RNA)
where:
Base-Base interactions energy: -118.280
where: short stacking energy: -55.136
Base-Backbone interact. energy: -0.091
local terms energy: -64.265689
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -198.002925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.002925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.002925 (E_RNA)
where:
Base-Base interactions energy: -130.424
where: short stacking energy: -51.551
Base-Backbone interact. energy: -1.141
local terms energy: -66.437849
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -8.854
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: 4, replica: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -174.628565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.628565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.628565 (E_RNA)
where:
Base-Base interactions energy: -109.945
where: short stacking energy: -45.838
Base-Backbone interact. energy: -0.175
local terms energy: -64.508822
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -12.974
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: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -164.738617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.738617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.738617 (E_RNA)
where:
Base-Base interactions energy: -108.305
where: short stacking energy: -47.840
Base-Backbone interact. energy: -0.180
local terms energy: -56.253818
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -9.651
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: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -105.981264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.981264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.981264 (E_RNA)
where:
Base-Base interactions energy: -41.798
where: short stacking energy: -38.988
Base-Backbone interact. energy: -0.096
local terms energy: -64.086942
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -8.096
flat angles P-C4'-P energy: -11.243
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: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -114.211081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.211081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.211081 (E_RNA)
where:
Base-Base interactions energy: -53.099
where: short stacking energy: -32.941
Base-Backbone interact. energy: -0.452
local terms energy: -60.659937
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -2.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -89.574917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.574917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.574917 (E_RNA)
where:
Base-Base interactions energy: -38.501
where: short stacking energy: -30.031
Base-Backbone interact. energy: 0.309
local terms energy: -51.383140
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -90.390617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.390617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.390617 (E_RNA)
where:
Base-Base interactions energy: -38.922
where: short stacking energy: -34.822
Base-Backbone interact. energy: -0.126
local terms energy: -51.341992
where:
bonds (distance) C4'-P energy: -9.443
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -8.302
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: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -85.732809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.732809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.732809 (E_RNA)
where:
Base-Base interactions energy: -40.618
where: short stacking energy: -29.470
Base-Backbone interact. energy: -0.808
local terms energy: -44.306980
where:
bonds (distance) C4'-P energy: -6.386
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -2.375
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: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -184.360487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.360487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.360487 (E_RNA)
where:
Base-Base interactions energy: -111.483
where: short stacking energy: -50.368
Base-Backbone interact. energy: -0.117
local terms energy: -72.760065
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -12.110
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: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -192.143480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.143480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.143480 (E_RNA)
where:
Base-Base interactions energy: -123.576
where: short stacking energy: -62.518
Base-Backbone interact. energy: -0.001
local terms energy: -68.565600
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -16.148
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: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -195.820083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.820083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.820083 (E_RNA)
where:
Base-Base interactions energy: -139.460
where: short stacking energy: -49.668
Base-Backbone interact. energy: -0.106
local terms energy: -56.254492
where:
bonds (distance) C4'-P energy: -6.128
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -174.704420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.704420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.704420 (E_RNA)
where:
Base-Base interactions energy: -105.237
where: short stacking energy: -54.417
Base-Backbone interact. energy: -0.373
local terms energy: -69.094578
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -11.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -160.054988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.054988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.054988 (E_RNA)
where:
Base-Base interactions energy: -107.826
where: short stacking energy: -48.300
Base-Backbone interact. energy: 0.916
local terms energy: -53.145340
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -107.267224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.267224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.267224 (E_RNA)
where:
Base-Base interactions energy: -46.686
where: short stacking energy: -45.703
Base-Backbone interact. energy: 0.004
local terms energy: -60.584952
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -10.022
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: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -105.823372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.823372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.823372 (E_RNA)
where:
Base-Base interactions energy: -59.927
where: short stacking energy: -37.116
Base-Backbone interact. energy: 0.073
local terms energy: -45.968718
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -112.978160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.978160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.978160 (E_RNA)
where:
Base-Base interactions energy: -58.093
where: short stacking energy: -32.751
Base-Backbone interact. energy: -0.266
local terms energy: -54.619212
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -5.627
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: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -79.122071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.122071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.122071 (E_RNA)
where:
Base-Base interactions energy: -38.174
where: short stacking energy: -25.428
Base-Backbone interact. energy: -0.215
local terms energy: -40.732565
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -5.982
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -83.794767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.794767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.794767 (E_RNA)
where:
Base-Base interactions energy: -31.255
where: short stacking energy: -31.255
Base-Backbone interact. energy: 0.649
local terms energy: -53.189292
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -200.528384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.528384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.528384 (E_RNA)
where:
Base-Base interactions energy: -132.894
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.026
local terms energy: -67.607760
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -10.334
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: 2, replica: 8
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -208.051165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.051165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.051165 (E_RNA)
where:
Base-Base interactions energy: -142.111
where: short stacking energy: -53.510
Base-Backbone interact. energy: -1.149
local terms energy: -64.791556
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -176.146020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.146020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.146020 (E_RNA)
where:
Base-Base interactions energy: -124.894
where: short stacking energy: -47.767
Base-Backbone interact. energy: -0.124
local terms energy: -51.127969
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -8.414
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -8.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -162.015924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.015924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.015924 (E_RNA)
where:
Base-Base interactions energy: -103.994
where: short stacking energy: -53.413
Base-Backbone interact. energy: -0.118
local terms energy: -57.903548
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -7.110
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: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -164.759507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.759507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.759507 (E_RNA)
where:
Base-Base interactions energy: -101.915
where: short stacking energy: -41.254
Base-Backbone interact. energy: 0.365
local terms energy: -63.209836
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -13.642
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: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -141.660972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.660972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.660972 (E_RNA)
where:
Base-Base interactions energy: -81.479
where: short stacking energy: -43.988
Base-Backbone interact. energy: -0.044
local terms energy: -60.137429
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -11.022
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: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -88.612178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.612178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.612178 (E_RNA)
where:
Base-Base interactions energy: -30.367
where: short stacking energy: -30.346
Base-Backbone interact. energy: -0.062
local terms energy: -58.182843
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -103.576086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.576086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.576086 (E_RNA)
where:
Base-Base interactions energy: -42.033
where: short stacking energy: -29.195
Base-Backbone interact. energy: 0.617
local terms energy: -62.160226
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -11.339
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: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -87.182576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.182576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.182576 (E_RNA)
where:
Base-Base interactions energy: -36.348
where: short stacking energy: -29.248
Base-Backbone interact. energy: -0.071
local terms energy: -50.763372
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -80.673577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.673577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.673577 (E_RNA)
where:
Base-Base interactions energy: -47.540
where: short stacking energy: -33.273
Base-Backbone interact. energy: 3.054
local terms energy: -36.187804
where:
bonds (distance) C4'-P energy: 0.283
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -194.077584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.077584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.077584 (E_RNA)
where:
Base-Base interactions energy: -125.070
where: short stacking energy: -60.315
Base-Backbone interact. energy: -0.034
local terms energy: -68.973829
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -10.495
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: 8
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -198.604670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.604670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.604670 (E_RNA)
where:
Base-Base interactions energy: -136.617
where: short stacking energy: -56.381
Base-Backbone interact. energy: -0.327
local terms energy: -61.660606
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -10.426
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: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -182.091341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.091341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.091341 (E_RNA)
where:
Base-Base interactions energy: -119.095
where: short stacking energy: -53.295
Base-Backbone interact. energy: -0.085
local terms energy: -62.911603
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -13.657
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: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -181.033890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.033890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.033890 (E_RNA)
where:
Base-Base interactions energy: -119.056
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.106
local terms energy: -61.872163
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -162.566634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.566634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.566634 (E_RNA)
where:
Base-Base interactions energy: -100.194
where: short stacking energy: -50.941
Base-Backbone interact. energy: 0.121
local terms energy: -62.493291
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -156.944323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.944323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.944323 (E_RNA)
where:
Base-Base interactions energy: -106.976
where: short stacking energy: -46.531
Base-Backbone interact. energy: 0.011
local terms energy: -49.979200
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -100.207161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.207161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.207161 (E_RNA)
where:
Base-Base interactions energy: -44.318
where: short stacking energy: -43.590
Base-Backbone interact. energy: -0.009
local terms energy: -55.880922
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -7.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -93.774370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.774370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.774370 (E_RNA)
where:
Base-Base interactions energy: -35.580
where: short stacking energy: -35.580
Base-Backbone interact. energy: -0.191
local terms energy: -58.003454
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -83.832370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.832370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.832370 (E_RNA)
where:
Base-Base interactions energy: -30.495
where: short stacking energy: -30.495
Base-Backbone interact. energy: 1.130
local terms energy: -54.467687
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -6.809
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: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -82.148044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.148044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.148044 (E_RNA)
where:
Base-Base interactions energy: -40.615
where: short stacking energy: -19.872
Base-Backbone interact. energy: -0.297
local terms energy: -41.235987
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: 3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -183.733954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.733954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.733954 (E_RNA)
where:
Base-Base interactions energy: -122.301
where: short stacking energy: -55.102
Base-Backbone interact. energy: -0.042
local terms energy: -61.390645
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -200.081614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.081614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.081614 (E_RNA)
where:
Base-Base interactions energy: -129.456
where: short stacking energy: -67.292
Base-Backbone interact. energy: -0.023
local terms energy: -70.602808
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -11.418
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: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -203.796992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.796992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.796992 (E_RNA)
where:
Base-Base interactions energy: -145.546
where: short stacking energy: -57.456
Base-Backbone interact. energy: -0.111
local terms energy: -58.140066
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -10.074
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -185.002814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.002814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.002814 (E_RNA)
where:
Base-Base interactions energy: -121.601
where: short stacking energy: -59.262
Base-Backbone interact. energy: -0.013
local terms energy: -63.389336
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -10.036
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: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -151.685237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.685237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.685237 (E_RNA)
where:
Base-Base interactions energy: -89.890
where: short stacking energy: -53.673
Base-Backbone interact. energy: -0.056
local terms energy: -61.739712
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -149.686742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.686742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.686742 (E_RNA)
where:
Base-Base interactions energy: -94.408
where: short stacking energy: -40.375
Base-Backbone interact. energy: -0.068
local terms energy: -55.211035
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -102.054398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.054398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.054398 (E_RNA)
where:
Base-Base interactions energy: -43.730
where: short stacking energy: -42.082
Base-Backbone interact. energy: -0.005
local terms energy: -58.318921
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -11.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -88.482112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.482112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.482112 (E_RNA)
where:
Base-Base interactions energy: -34.752
where: short stacking energy: -33.471
Base-Backbone interact. energy: -0.672
local terms energy: -53.057922
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -0.707
tors. eta vs tors. theta energy: -7.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -78.559228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.559228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.559228 (E_RNA)
where:
Base-Base interactions energy: -34.527
where: short stacking energy: -23.013
Base-Backbone interact. energy: 1.573
local terms energy: -45.605416
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -3.170
tors. eta vs tors. theta energy: 2.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -74.424224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.424224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.424224 (E_RNA)
where:
Base-Base interactions energy: -31.157
where: short stacking energy: -20.035
Base-Backbone interact. energy: -1.195
local terms energy: -42.072531
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -8.518
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -204.362485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.362485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.362485 (E_RNA)
where:
Base-Base interactions energy: -132.736
where: short stacking energy: -61.735
Base-Backbone interact. energy: -0.085
local terms energy: -71.541218
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -7.434
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: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -185.630613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.630613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.630613 (E_RNA)
where:
Base-Base interactions energy: -121.804
where: short stacking energy: -68.197
Base-Backbone interact. energy: 1.021
local terms energy: -64.847830
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -14.269
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: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -195.385433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.385433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.385433 (E_RNA)
where:
Base-Base interactions energy: -123.784
where: short stacking energy: -65.756
Base-Backbone interact. energy: -0.008
local terms energy: -71.593315
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -18.816
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: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -194.580208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.580208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.580208 (E_RNA)
where:
Base-Base interactions energy: -133.588
where: short stacking energy: -48.768
Base-Backbone interact. energy: 0.408
local terms energy: -61.400492
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -172.876695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.876695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.876695 (E_RNA)
where:
Base-Base interactions energy: -102.707
where: short stacking energy: -52.241
Base-Backbone interact. energy: -0.009
local terms energy: -70.160621
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -147.762353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.762353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.762353 (E_RNA)
where:
Base-Base interactions energy: -94.057
where: short stacking energy: -50.520
Base-Backbone interact. energy: -0.410
local terms energy: -53.295473
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -8.785
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -103.013748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.013748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.013748 (E_RNA)
where:
Base-Base interactions energy: -49.509
where: short stacking energy: -37.028
Base-Backbone interact. energy: -0.570
local terms energy: -52.934205
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -6.643
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: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -83.903530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.903530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.903530 (E_RNA)
where:
Base-Base interactions energy: -45.053
where: short stacking energy: -30.196
Base-Backbone interact. energy: -0.334
local terms energy: -38.517158
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -6.596
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -80.739530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.739530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.739530 (E_RNA)
where:
Base-Base interactions energy: -30.212
where: short stacking energy: -29.567
Base-Backbone interact. energy: -0.161
local terms energy: -50.366195
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -85.717374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.717374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.717374 (E_RNA)
where:
Base-Base interactions energy: -28.820
where: short stacking energy: -28.820
Base-Backbone interact. energy: -0.197
local terms energy: -56.700177
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -207.209152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.209152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.209152 (E_RNA)
where:
Base-Base interactions energy: -132.784
where: short stacking energy: -61.331
Base-Backbone interact. energy: -0.104
local terms energy: -74.320524
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -193.321196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.321196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.321196 (E_RNA)
where:
Base-Base interactions energy: -131.854
where: short stacking energy: -53.779
Base-Backbone interact. energy: -0.228
local terms energy: -61.239507
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -13.002
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: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -192.685861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.685861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.685861 (E_RNA)
where:
Base-Base interactions energy: -133.551
where: short stacking energy: -72.217
Base-Backbone interact. energy: -0.192
local terms energy: -58.943627
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -192.221976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.221976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.221976 (E_RNA)
where:
Base-Base interactions energy: -129.368
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.009
local terms energy: -62.845309
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -163.698654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.698654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.698654 (E_RNA)
where:
Base-Base interactions energy: -103.120
where: short stacking energy: -49.719
Base-Backbone interact. energy: 2.342
local terms energy: -62.920897
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -10.536
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: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -96.592946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.592946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.592946 (E_RNA)
where:
Base-Base interactions energy: -37.361
where: short stacking energy: -32.177
Base-Backbone interact. energy: -0.063
local terms energy: -59.169642
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -134.692207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.692207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.692207 (E_RNA)
where:
Base-Base interactions energy: -77.727
where: short stacking energy: -38.086
Base-Backbone interact. energy: -0.087
local terms energy: -56.877450
where:
bonds (distance) C4'-P energy: -6.907
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -91.747981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.747981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.747981 (E_RNA)
where:
Base-Base interactions energy: -40.115
where: short stacking energy: -31.289
Base-Backbone interact. energy: -0.449
local terms energy: -51.184037
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -78.215301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.215301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.215301 (E_RNA)
where:
Base-Base interactions energy: -31.323
where: short stacking energy: -28.628
Base-Backbone interact. energy: -0.034
local terms energy: -46.858192
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -8.381
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -68.493395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.493395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.493395 (E_RNA)
where:
Base-Base interactions energy: -30.090
where: short stacking energy: -30.090
Base-Backbone interact. energy: 0.407
local terms energy: -38.810648
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -7.613
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -207.134309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.134309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.134309 (E_RNA)
where:
Base-Base interactions energy: -141.110
where: short stacking energy: -51.695
Base-Backbone interact. energy: -0.215
local terms energy: -65.809698
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -202.599191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.599191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.599191 (E_RNA)
where:
Base-Base interactions energy: -137.030
where: short stacking energy: -57.017
Base-Backbone interact. energy: -0.131
local terms energy: -65.437803
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -190.106737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.106737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.106737 (E_RNA)
where:
Base-Base interactions energy: -123.846
where: short stacking energy: -64.790
Base-Backbone interact. energy: -0.061
local terms energy: -66.199400
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -191.638083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.638083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.638083 (E_RNA)
where:
Base-Base interactions energy: -118.149
where: short stacking energy: -62.234
Base-Backbone interact. energy: -0.014
local terms energy: -73.474529
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -156.096416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.096416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.096416 (E_RNA)
where:
Base-Base interactions energy: -105.744
where: short stacking energy: -42.195
Base-Backbone interact. energy: 0.685
local terms energy: -51.037701
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -8.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -91.564391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.564391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.564391 (E_RNA)
where:
Base-Base interactions energy: -36.900
where: short stacking energy: -21.405
Base-Backbone interact. energy: 0.301
local terms energy: -54.965947
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -133.566180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.566180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.566180 (E_RNA)
where:
Base-Base interactions energy: -72.292
where: short stacking energy: -40.375
Base-Backbone interact. energy: -0.049
local terms energy: -61.224632
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -10.198
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: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -105.265438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.265438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.265438 (E_RNA)
where:
Base-Base interactions energy: -56.936
where: short stacking energy: -30.009
Base-Backbone interact. energy: -0.098
local terms energy: -48.230779
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -79.570660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.570660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.570660 (E_RNA)
where:
Base-Base interactions energy: -28.475
where: short stacking energy: -28.475
Base-Backbone interact. energy: 1.661
local terms energy: -52.756414
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -79.204111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.204111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.204111 (E_RNA)
where:
Base-Base interactions energy: -26.125
where: short stacking energy: -25.907
Base-Backbone interact. energy: -0.111
local terms energy: -52.968500
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -221.923548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.923548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.923548 (E_RNA)
where:
Base-Base interactions energy: -151.739
where: short stacking energy: -57.877
Base-Backbone interact. energy: -0.214
local terms energy: -69.969949
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -11.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -197.755477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.755477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.755477 (E_RNA)
where:
Base-Base interactions energy: -123.629
where: short stacking energy: -57.139
Base-Backbone interact. energy: -0.022
local terms energy: -74.105218
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -199.014499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.014499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.014499 (E_RNA)
where:
Base-Base interactions energy: -138.271
where: short stacking energy: -55.602
Base-Backbone interact. energy: -0.201
local terms energy: -60.542119
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -12.331
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: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -194.348048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.348048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.348048 (E_RNA)
where:
Base-Base interactions energy: -121.623
where: short stacking energy: -68.721
Base-Backbone interact. energy: -0.300
local terms energy: -72.424633
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -18.943
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: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -163.570395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.570395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.570395 (E_RNA)
where:
Base-Base interactions energy: -100.800
where: short stacking energy: -56.531
Base-Backbone interact. energy: -0.004
local terms energy: -62.765767
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -144.840559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.840559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.840559 (E_RNA)
where:
Base-Base interactions energy: -80.380
where: short stacking energy: -50.584
Base-Backbone interact. energy: -0.715
local terms energy: -63.745449
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -94.372628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.372628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.372628 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -26.101
Base-Backbone interact. energy: -0.173
local terms energy: -57.747300
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -92.957741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.957741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.957741 (E_RNA)
where:
Base-Base interactions energy: -34.002
where: short stacking energy: -23.147
Base-Backbone interact. energy: -1.531
local terms energy: -57.424223
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -91.187751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.187751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.187751 (E_RNA)
where:
Base-Base interactions energy: -40.362
where: short stacking energy: -27.159
Base-Backbone interact. energy: -0.619
local terms energy: -50.207301
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -7.339
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -80.069556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.069556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.069556 (E_RNA)
where:
Base-Base interactions energy: -33.160
where: short stacking energy: -31.931
Base-Backbone interact. energy: 3.080
local terms energy: -49.988888
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -4.759
tors. eta vs tors. theta energy: -3.332
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: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -214.578447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.578447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.578447 (E_RNA)
where:
Base-Base interactions energy: -148.220
where: short stacking energy: -50.076
Base-Backbone interact. energy: 0.070
local terms energy: -66.428531
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -13.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -191.484933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.484933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.484933 (E_RNA)
where:
Base-Base interactions energy: -130.294
where: short stacking energy: -55.384
Base-Backbone interact. energy: -0.037
local terms energy: -61.153931
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -12.781
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: 3, replica: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -199.670412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.670412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.670412 (E_RNA)
where:
Base-Base interactions energy: -124.056
where: short stacking energy: -67.810
Base-Backbone interact. energy: -0.005
local terms energy: -75.608694
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -193.870562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.870562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.870562 (E_RNA)
where:
Base-Base interactions energy: -129.075
where: short stacking energy: -46.352
Base-Backbone interact. energy: -0.346
local terms energy: -64.449987
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -137.305552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.305552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.305552 (E_RNA)
where:
Base-Base interactions energy: -84.150
where: short stacking energy: -43.226
Base-Backbone interact. energy: -0.940
local terms energy: -52.216157
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -8.066
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -6.264
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: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -165.726795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.726795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.726795 (E_RNA)
where:
Base-Base interactions energy: -101.574
where: short stacking energy: -42.402
Base-Backbone interact. energy: -0.547
local terms energy: -63.605966
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -6.092
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: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -88.321975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.321975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.321975 (E_RNA)
where:
Base-Base interactions energy: -35.961
where: short stacking energy: -35.961
Base-Backbone interact. energy: -0.091
local terms energy: -52.269584
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -8.674
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -80.570524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.570524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.570524 (E_RNA)
where:
Base-Base interactions energy: -28.453
where: short stacking energy: -27.980
Base-Backbone interact. energy: -0.584
local terms energy: -51.534050
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -5.218
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: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -91.696788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.696788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.696788 (E_RNA)
where:
Base-Base interactions energy: -43.736
where: short stacking energy: -43.096
Base-Backbone interact. energy: 0.616
local terms energy: -48.576957
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -76.679808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.679808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.679808 (E_RNA)
where:
Base-Base interactions energy: -34.505
where: short stacking energy: -27.474
Base-Backbone interact. energy: -0.104
local terms energy: -42.070801
where:
bonds (distance) C4'-P energy: -6.286
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -214.404823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.404823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.404823 (E_RNA)
where:
Base-Base interactions energy: -143.536
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.128
local terms energy: -70.741600
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -14.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -199.625984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.625984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.625984 (E_RNA)
where:
Base-Base interactions energy: -143.026
where: short stacking energy: -62.534
Base-Backbone interact. energy: -0.052
local terms energy: -56.548220
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -10.202
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -196.957996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.957996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.957996 (E_RNA)
where:
Base-Base interactions energy: -135.656
where: short stacking energy: -50.232
Base-Backbone interact. energy: -0.110
local terms energy: -61.192307
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -181.802047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.802047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.802047 (E_RNA)
where:
Base-Base interactions energy: -121.695
where: short stacking energy: -57.285
Base-Backbone interact. energy: -0.036
local terms energy: -60.070955
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -11.222
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: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -144.381916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.381916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.381916 (E_RNA)
where:
Base-Base interactions energy: -83.452
where: short stacking energy: -45.912
Base-Backbone interact. energy: -0.059
local terms energy: -60.871663
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -7.651
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: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -155.199787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.199787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.199787 (E_RNA)
where:
Base-Base interactions energy: -93.582
where: short stacking energy: -49.524
Base-Backbone interact. energy: -0.111
local terms energy: -61.506702
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -12.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -96.668819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.668819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.668819 (E_RNA)
where:
Base-Base interactions energy: -40.665
where: short stacking energy: -36.108
Base-Backbone interact. energy: -0.044
local terms energy: -55.959761
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -7.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -88.554848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.554848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.554848 (E_RNA)
where:
Base-Base interactions energy: -33.549
where: short stacking energy: -33.437
Base-Backbone interact. energy: -0.101
local terms energy: -54.904121
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -7.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -82.228946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.228946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.228946 (E_RNA)
where:
Base-Base interactions energy: -31.019
where: short stacking energy: -26.846
Base-Backbone interact. energy: 0.619
local terms energy: -51.828823
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -79.021718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.021718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.021718 (E_RNA)
where:
Base-Base interactions energy: -32.436
where: short stacking energy: -32.076
Base-Backbone interact. energy: -1.376
local terms energy: -45.208900
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -2.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -204.534424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.534424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.534424 (E_RNA)
where:
Base-Base interactions energy: -135.427
where: short stacking energy: -63.529
Base-Backbone interact. energy: -0.015
local terms energy: -69.092198
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -12.829
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: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -210.180157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.180157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.180157 (E_RNA)
where:
Base-Base interactions energy: -151.976
where: short stacking energy: -51.601
Base-Backbone interact. energy: 0.503
local terms energy: -58.706681
where:
bonds (distance) C4'-P energy: -7.064
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -9.114
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: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -189.012972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.012972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.012972 (E_RNA)
where:
Base-Base interactions energy: -118.681
where: short stacking energy: -50.830
Base-Backbone interact. energy: -0.040
local terms energy: -70.291991
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -178.960044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.960044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.960044 (E_RNA)
where:
Base-Base interactions energy: -97.215
where: short stacking energy: -62.594
Base-Backbone interact. energy: -0.737
local terms energy: -81.007756
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -157.103790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.103790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.103790 (E_RNA)
where:
Base-Base interactions energy: -85.146
where: short stacking energy: -42.552
Base-Backbone interact. energy: -0.337
local terms energy: -71.620842
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -12.683
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: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -100.230495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.230495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.230495 (E_RNA)
where:
Base-Base interactions energy: -49.145
where: short stacking energy: -49.145
Base-Backbone interact. energy: -0.146
local terms energy: -50.939134
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -7.721
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -6.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -91.608408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.608408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.608408 (E_RNA)
where:
Base-Base interactions energy: -35.132
where: short stacking energy: -31.257
Base-Backbone interact. energy: -0.123
local terms energy: -56.354183
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -96.983387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.983387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.983387 (E_RNA)
where:
Base-Base interactions energy: -45.866
where: short stacking energy: -33.865
Base-Backbone interact. energy: -0.678
local terms energy: -50.439906
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -77.712777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.712777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.712777 (E_RNA)
where:
Base-Base interactions energy: -29.836
where: short stacking energy: -27.225
Base-Backbone interact. energy: -0.052
local terms energy: -47.824792
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -8.056
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -86.159802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.159802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.159802 (E_RNA)
where:
Base-Base interactions energy: -30.158
where: short stacking energy: -29.683
Base-Backbone interact. energy: -0.149
local terms energy: -55.852774
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -205.142116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.142116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.142116 (E_RNA)
where:
Base-Base interactions energy: -139.233
where: short stacking energy: -64.263
Base-Backbone interact. energy: -0.006
local terms energy: -65.903459
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -177.886588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.886588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.886588 (E_RNA)
where:
Base-Base interactions energy: -105.841
where: short stacking energy: -62.681
Base-Backbone interact. energy: -0.163
local terms energy: -71.882560
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -185.035804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.035804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.035804 (E_RNA)
where:
Base-Base interactions energy: -116.683
where: short stacking energy: -67.925
Base-Backbone interact. energy: -0.020
local terms energy: -68.332952
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -176.155696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.155696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.155696 (E_RNA)
where:
Base-Base interactions energy: -104.850
where: short stacking energy: -59.557
Base-Backbone interact. energy: -0.371
local terms energy: -70.934358
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -10.175
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: 5, replica: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -154.615489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.615489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.615489 (E_RNA)
where:
Base-Base interactions energy: -88.655
where: short stacking energy: -47.961
Base-Backbone interact. energy: -0.356
local terms energy: -65.604362
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -11.312
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: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -93.565704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.565704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.565704 (E_RNA)
where:
Base-Base interactions energy: -35.201
where: short stacking energy: -35.701
Base-Backbone interact. energy: 0.568
local terms energy: -58.932211
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -101.476288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.476288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.476288 (E_RNA)
where:
Base-Base interactions energy: -41.895
where: short stacking energy: -41.895
Base-Backbone interact. energy: -0.051
local terms energy: -59.529868
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -89.378520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.378520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.378520 (E_RNA)
where:
Base-Base interactions energy: -35.163
where: short stacking energy: -35.163
Base-Backbone interact. energy: -0.613
local terms energy: -53.602990
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -77.909568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.909568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.909568 (E_RNA)
where:
Base-Base interactions energy: -27.226
where: short stacking energy: -27.462
Base-Backbone interact. energy: -0.372
local terms energy: -50.311549
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -1.201
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: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -84.007967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.007967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.007967 (E_RNA)
where:
Base-Base interactions energy: -34.371
where: short stacking energy: -28.270
Base-Backbone interact. energy: -0.228
local terms energy: -49.408616
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: 3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -203.709596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.709596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.709596 (E_RNA)
where:
Base-Base interactions energy: -133.989
where: short stacking energy: -64.933
Base-Backbone interact. energy: -0.003
local terms energy: -69.718465
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -183.358073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.358073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.358073 (E_RNA)
where:
Base-Base interactions energy: -111.524
where: short stacking energy: -62.623
Base-Backbone interact. energy: -0.104
local terms energy: -71.730783
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -11.841
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: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -184.848850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.848850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.848850 (E_RNA)
where:
Base-Base interactions energy: -113.845
where: short stacking energy: -61.869
Base-Backbone interact. energy: -0.004
local terms energy: -71.000173
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -168.800050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.800050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.800050 (E_RNA)
where:
Base-Base interactions energy: -103.093
where: short stacking energy: -65.393
Base-Backbone interact. energy: -0.061
local terms energy: -65.646263
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -9.537
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -9.214
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: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -156.595299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.595299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.595299 (E_RNA)
where:
Base-Base interactions energy: -92.598
where: short stacking energy: -51.151
Base-Backbone interact. energy: -0.324
local terms energy: -63.673483
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -112.993280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.993280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.993280 (E_RNA)
where:
Base-Base interactions energy: -57.879
where: short stacking energy: -38.818
Base-Backbone interact. energy: 0.806
local terms energy: -55.920937
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -93.248260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.248260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.248260 (E_RNA)
where:
Base-Base interactions energy: -41.551
where: short stacking energy: -39.174
Base-Backbone interact. energy: -0.202
local terms energy: -51.495900
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -102.508604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.508604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.508604 (E_RNA)
where:
Base-Base interactions energy: -54.730
where: short stacking energy: -31.080
Base-Backbone interact. energy: -0.594
local terms energy: -47.185549
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -5.659
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -93.447587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.447587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.447587 (E_RNA)
where:
Base-Base interactions energy: -42.016
where: short stacking energy: -42.016
Base-Backbone interact. energy: -0.086
local terms energy: -51.345163
where:
bonds (distance) C4'-P energy: -8.030
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -9.873
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: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -86.019854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.019854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.019854 (E_RNA)
where:
Base-Base interactions energy: -36.737
where: short stacking energy: -27.292
Base-Backbone interact. energy: -0.487
local terms energy: -48.795768
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: 0.244
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: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -210.769187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.769187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.769187 (E_RNA)
where:
Base-Base interactions energy: -137.260
where: short stacking energy: -65.062
Base-Backbone interact. energy: -0.058
local terms energy: -73.450746
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -186.683499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.683499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.683499 (E_RNA)
where:
Base-Base interactions energy: -116.607
where: short stacking energy: -63.829
Base-Backbone interact. energy: -0.216
local terms energy: -69.860057
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -7.775
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: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -180.951972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.951972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.951972 (E_RNA)
where:
Base-Base interactions energy: -117.809
where: short stacking energy: -51.578
Base-Backbone interact. energy: -0.011
local terms energy: -63.131922
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -186.903809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.903809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.903809 (E_RNA)
where:
Base-Base interactions energy: -123.133
where: short stacking energy: -56.674
Base-Backbone interact. energy: -0.617
local terms energy: -63.153587
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -166.044200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.044200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.044200 (E_RNA)
where:
Base-Base interactions energy: -97.115
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.100
local terms energy: -68.829348
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -13.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -102.862208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.862208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.862208 (E_RNA)
where:
Base-Base interactions energy: -39.844
where: short stacking energy: -39.844
Base-Backbone interact. energy: -0.059
local terms energy: -62.958812
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -106.887411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.887411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.887411 (E_RNA)
where:
Base-Base interactions energy: -58.307
where: short stacking energy: -33.403
Base-Backbone interact. energy: -0.248
local terms energy: -48.332607
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -79.393539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.393539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.393539 (E_RNA)
where:
Base-Base interactions energy: -30.086
where: short stacking energy: -30.086
Base-Backbone interact. energy: -0.715
local terms energy: -48.592977
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -89.080194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.080194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.080194 (E_RNA)
where:
Base-Base interactions energy: -35.619
where: short stacking energy: -35.613
Base-Backbone interact. energy: -0.243
local terms energy: -53.217353
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -78.922436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.922436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.922436 (E_RNA)
where:
Base-Base interactions energy: -28.627
where: short stacking energy: -28.627
Base-Backbone interact. energy: -0.176
local terms energy: -50.119510
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -199.812969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.812969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.812969 (E_RNA)
where:
Base-Base interactions energy: -124.020
where: short stacking energy: -72.442
Base-Backbone interact. energy: 0.335
local terms energy: -76.128083
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -8.209
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: 2, replica: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -193.310605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.310605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.310605 (E_RNA)
where:
Base-Base interactions energy: -120.352
where: short stacking energy: -59.347
Base-Backbone interact. energy: -0.024
local terms energy: -72.934449
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -14.160
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: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -191.487686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.487686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.487686 (E_RNA)
where:
Base-Base interactions energy: -124.609
where: short stacking energy: -56.041
Base-Backbone interact. energy: -1.695
local terms energy: -65.183684
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -12.094
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: 4, replica: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -186.598823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.598823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.598823 (E_RNA)
where:
Base-Base interactions energy: -117.273
where: short stacking energy: -55.752
Base-Backbone interact. energy: 0.333
local terms energy: -69.658109
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -14.768
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: 5, replica: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -159.448196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.448196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.448196 (E_RNA)
where:
Base-Base interactions energy: -95.171
where: short stacking energy: -57.482
Base-Backbone interact. energy: -0.005
local terms energy: -64.272378
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -99.921919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.921919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.921919 (E_RNA)
where:
Base-Base interactions energy: -40.300
where: short stacking energy: -38.454
Base-Backbone interact. energy: -0.039
local terms energy: -59.582932
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -90.536199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.536199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.536199 (E_RNA)
where:
Base-Base interactions energy: -38.970
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.420
local terms energy: -51.146662
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -2.655
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: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -99.450105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.450105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.450105 (E_RNA)
where:
Base-Base interactions energy: -52.599
where: short stacking energy: -37.550
Base-Backbone interact. energy: -0.180
local terms energy: -46.671038
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -88.347305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.347305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.347305 (E_RNA)
where:
Base-Base interactions energy: -41.083
where: short stacking energy: -38.003
Base-Backbone interact. energy: -0.052
local terms energy: -47.212294
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -95.729193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.729193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.729193 (E_RNA)
where:
Base-Base interactions energy: -32.883
where: short stacking energy: -32.883
Base-Backbone interact. energy: -0.108
local terms energy: -62.737948
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -7.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -205.512984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.512984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.512984 (E_RNA)
where:
Base-Base interactions energy: -131.448
where: short stacking energy: -59.784
Base-Backbone interact. energy: 0.180
local terms energy: -74.244827
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -202.813701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.813701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.813701 (E_RNA)
where:
Base-Base interactions energy: -133.200
where: short stacking energy: -63.585
Base-Backbone interact. energy: -0.095
local terms energy: -69.518536
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -191.951141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.951141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.951141 (E_RNA)
where:
Base-Base interactions energy: -126.093
where: short stacking energy: -58.238
Base-Backbone interact. energy: -0.161
local terms energy: -65.696962
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -175.598153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.598153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.598153 (E_RNA)
where:
Base-Base interactions energy: -107.535
where: short stacking energy: -54.880
Base-Backbone interact. energy: 0.015
local terms energy: -68.078227
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -152.255702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.255702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.255702 (E_RNA)
where:
Base-Base interactions energy: -91.918
where: short stacking energy: -53.691
Base-Backbone interact. energy: -0.001
local terms energy: -60.336633
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -3.735
tors. eta vs tors. theta energy: -13.612
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: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -110.436083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.436083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.436083 (E_RNA)
where:
Base-Base interactions energy: -47.039
where: short stacking energy: -47.039
Base-Backbone interact. energy: -0.059
local terms energy: -63.338647
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -16.712
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: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -89.241802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.241802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.241802 (E_RNA)
where:
Base-Base interactions energy: -35.759
where: short stacking energy: -35.759
Base-Backbone interact. energy: 0.068
local terms energy: -53.550763
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -6.040
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: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -100.763722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.763722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.763722 (E_RNA)
where:
Base-Base interactions energy: -44.980
where: short stacking energy: -28.685
Base-Backbone interact. energy: 0.693
local terms energy: -56.476740
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -7.072
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: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -90.884845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.884845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.884845 (E_RNA)
where:
Base-Base interactions energy: -38.204
where: short stacking energy: -30.268
Base-Backbone interact. energy: -0.233
local terms energy: -52.447887
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -83.084846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.084846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.084846 (E_RNA)
where:
Base-Base interactions energy: -38.688
where: short stacking energy: -28.050
Base-Backbone interact. energy: 0.360
local terms energy: -44.757618
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -8.792
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -195.692626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.692626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.692626 (E_RNA)
where:
Base-Base interactions energy: -132.466
where: short stacking energy: -62.587
Base-Backbone interact. energy: -0.162
local terms energy: -63.064999
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -194.458238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.458238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.458238 (E_RNA)
where:
Base-Base interactions energy: -128.040
where: short stacking energy: -63.131
Base-Backbone interact. energy: -0.073
local terms energy: -66.345288
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -4.167
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -185.474636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.474636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.474636 (E_RNA)
where:
Base-Base interactions energy: -119.131
where: short stacking energy: -50.853
Base-Backbone interact. energy: -0.012
local terms energy: -66.331842
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -195.888278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.888278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.888278 (E_RNA)
where:
Base-Base interactions energy: -129.396
where: short stacking energy: -65.744
Base-Backbone interact. energy: -0.259
local terms energy: -66.233242
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -179.438062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.438062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.438062 (E_RNA)
where:
Base-Base interactions energy: -112.459
where: short stacking energy: -67.817
Base-Backbone interact. energy: -0.364
local terms energy: -66.614558
where:
bonds (distance) C4'-P energy: -7.909
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -93.319724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.319724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.319724 (E_RNA)
where:
Base-Base interactions energy: -33.237
where: short stacking energy: -32.023
Base-Backbone interact. energy: -0.069
local terms energy: -60.013303
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -96.034082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.034082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.034082 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -34.944
Base-Backbone interact. energy: -0.067
local terms energy: -61.022225
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -88.302728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.302728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.302728 (E_RNA)
where:
Base-Base interactions energy: -28.894
where: short stacking energy: -25.611
Base-Backbone interact. energy: -0.148
local terms energy: -59.260364
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -74.703486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.703486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.703486 (E_RNA)
where:
Base-Base interactions energy: -24.211
where: short stacking energy: -16.787
Base-Backbone interact. energy: -0.179
local terms energy: -50.314141
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -84.860672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.860672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.860672 (E_RNA)
where:
Base-Base interactions energy: -30.710
where: short stacking energy: -30.710
Base-Backbone interact. energy: -0.088
local terms energy: -54.063090
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -198.399077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.399077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.399077 (E_RNA)
where:
Base-Base interactions energy: -122.177
where: short stacking energy: -62.077
Base-Backbone interact. energy: -0.014
local terms energy: -76.207659
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -15.320
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: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -192.896011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.896011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.896011 (E_RNA)
where:
Base-Base interactions energy: -123.527
where: short stacking energy: -48.528
Base-Backbone interact. energy: -0.202
local terms energy: -69.166450
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -191.292749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.292749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.292749 (E_RNA)
where:
Base-Base interactions energy: -121.699
where: short stacking energy: -52.410
Base-Backbone interact. energy: -0.887
local terms energy: -68.707123
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -195.341677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.341677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.341677 (E_RNA)
where:
Base-Base interactions energy: -126.467
where: short stacking energy: -48.893
Base-Backbone interact. energy: -0.107
local terms energy: -68.768061
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -189.703259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.703259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.703259 (E_RNA)
where:
Base-Base interactions energy: -126.390
where: short stacking energy: -53.874
Base-Backbone interact. energy: -1.156
local terms energy: -62.157313
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -11.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -113.480006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.480006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.480006 (E_RNA)
where:
Base-Base interactions energy: -60.940
where: short stacking energy: -31.662
Base-Backbone interact. energy: 0.312
local terms energy: -52.851959
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -102.308996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.308996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.308996 (E_RNA)
where:
Base-Base interactions energy: -46.580
where: short stacking energy: -38.742
Base-Backbone interact. energy: -0.139
local terms energy: -55.590206
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -92.039162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.039162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.039162 (E_RNA)
where:
Base-Base interactions energy: -39.358
where: short stacking energy: -34.988
Base-Backbone interact. energy: -0.094
local terms energy: -52.587101
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -86.270627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.270627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.270627 (E_RNA)
where:
Base-Base interactions energy: -29.177
where: short stacking energy: -27.415
Base-Backbone interact. energy: -0.220
local terms energy: -56.872941
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -79.054942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.054942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.054942 (E_RNA)
where:
Base-Base interactions energy: -38.684
where: short stacking energy: -14.402
Base-Backbone interact. energy: -0.189
local terms energy: -40.181851
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: 6.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -206.082294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.082294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.082294 (E_RNA)
where:
Base-Base interactions energy: -130.349
where: short stacking energy: -66.967
Base-Backbone interact. energy: 0.430
local terms energy: -76.162793
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -200.814090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.814090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.814090 (E_RNA)
where:
Base-Base interactions energy: -128.127
where: short stacking energy: -58.254
Base-Backbone interact. energy: -0.050
local terms energy: -72.637306
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -191.309730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.309730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.309730 (E_RNA)
where:
Base-Base interactions energy: -118.669
where: short stacking energy: -58.238
Base-Backbone interact. energy: -0.004
local terms energy: -72.636349
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -20.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -189.930556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.930556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.930556 (E_RNA)
where:
Base-Base interactions energy: -127.959
where: short stacking energy: -51.152
Base-Backbone interact. energy: -0.066
local terms energy: -61.905734
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -7.462
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -169.248545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.248545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.248545 (E_RNA)
where:
Base-Base interactions energy: -103.260
where: short stacking energy: -46.786
Base-Backbone interact. energy: -0.746
local terms energy: -65.242488
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -100.562985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.562985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.562985 (E_RNA)
where:
Base-Base interactions energy: -47.145
where: short stacking energy: -43.652
Base-Backbone interact. energy: -0.012
local terms energy: -53.406443
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -9.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -102.631863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.631863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.631863 (E_RNA)
where:
Base-Base interactions energy: -49.101
where: short stacking energy: -36.645
Base-Backbone interact. energy: -0.093
local terms energy: -53.438264
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -0.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -80.990640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.990640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.990640 (E_RNA)
where:
Base-Base interactions energy: -38.147
where: short stacking energy: -27.127
Base-Backbone interact. energy: -0.297
local terms energy: -42.546712
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: 1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -81.722353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.722353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.722353 (E_RNA)
where:
Base-Base interactions energy: -29.521
where: short stacking energy: -21.256
Base-Backbone interact. energy: -0.217
local terms energy: -51.984479
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: 2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -86.750348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.750348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.750348 (E_RNA)
where:
Base-Base interactions energy: -35.361
where: short stacking energy: -35.361
Base-Backbone interact. energy: 2.175
local terms energy: -53.564278
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -198.790129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.790129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.790129 (E_RNA)
where:
Base-Base interactions energy: -125.882
where: short stacking energy: -65.270
Base-Backbone interact. energy: 0.058
local terms energy: -72.966653
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -17.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -203.510745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.510745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.510745 (E_RNA)
where:
Base-Base interactions energy: -126.118
where: short stacking energy: -63.698
Base-Backbone interact. energy: -0.004
local terms energy: -77.388844
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -192.346194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.346194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.346194 (E_RNA)
where:
Base-Base interactions energy: -122.353
where: short stacking energy: -58.261
Base-Backbone interact. energy: -0.192
local terms energy: -69.800994
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -11.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -160.493757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.493757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.493757 (E_RNA)
where:
Base-Base interactions energy: -94.287
where: short stacking energy: -49.870
Base-Backbone interact. energy: -0.003
local terms energy: -66.203595
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -163.839796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.839796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.839796 (E_RNA)
where:
Base-Base interactions energy: -111.096
where: short stacking energy: -55.708
Base-Backbone interact. energy: -0.168
local terms energy: -52.575385
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -8.167
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -9.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -151.576714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.576714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.576714 (E_RNA)
where:
Base-Base interactions energy: -95.433
where: short stacking energy: -41.970
Base-Backbone interact. energy: -0.274
local terms energy: -55.868942
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -6.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -88.309365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.309365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.309365 (E_RNA)
where:
Base-Base interactions energy: -41.918
where: short stacking energy: -32.462
Base-Backbone interact. energy: -0.181
local terms energy: -46.210296
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -95.215011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.215011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.215011 (E_RNA)
where:
Base-Base interactions energy: -40.405
where: short stacking energy: -34.109
Base-Backbone interact. energy: -0.009
local terms energy: -54.800575
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -7.185
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -88.686007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.686007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.686007 (E_RNA)
where:
Base-Base interactions energy: -45.217
where: short stacking energy: -17.920
Base-Backbone interact. energy: -0.612
local terms energy: -42.857727
where:
bonds (distance) C4'-P energy: -7.995
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: 2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -79.178983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.178983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.178983 (E_RNA)
where:
Base-Base interactions energy: -27.654
where: short stacking energy: -22.963
Base-Backbone interact. energy: 0.305
local terms energy: -51.830082
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: 0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -210.745015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.745015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.745015 (E_RNA)
where:
Base-Base interactions energy: -134.033
where: short stacking energy: -77.321
Base-Backbone interact. energy: -0.001
local terms energy: -76.711116
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -20.466
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: 2, replica: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -188.018084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.018084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.018084 (E_RNA)
where:
Base-Base interactions energy: -115.193
where: short stacking energy: -58.957
Base-Backbone interact. energy: -0.168
local terms energy: -72.657673
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -13.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -198.335040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.335040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.335040 (E_RNA)
where:
Base-Base interactions energy: -126.962
where: short stacking energy: -65.818
Base-Backbone interact. energy: -0.007
local terms energy: -71.365425
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -11.282
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: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -171.692246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.692246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.692246 (E_RNA)
where:
Base-Base interactions energy: -103.973
where: short stacking energy: -52.523
Base-Backbone interact. energy: -0.215
local terms energy: -67.504513
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -156.872126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.872126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.872126 (E_RNA)
where:
Base-Base interactions energy: -97.668
where: short stacking energy: -43.133
Base-Backbone interact. energy: 1.407
local terms energy: -60.611624
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -8.932
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: 6, replica: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -152.745882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.745882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.745882 (E_RNA)
where:
Base-Base interactions energy: -98.493
where: short stacking energy: -45.045
Base-Backbone interact. energy: 0.004
local terms energy: -54.256619
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -96.341755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.341755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.341755 (E_RNA)
where:
Base-Base interactions energy: -39.600
where: short stacking energy: -29.177
Base-Backbone interact. energy: -1.237
local terms energy: -55.504520
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -86.951288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.951288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.951288 (E_RNA)
where:
Base-Base interactions energy: -27.133
where: short stacking energy: -23.422
Base-Backbone interact. energy: -0.161
local terms energy: -59.656563
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -74.065807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.065807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.065807 (E_RNA)
where:
Base-Base interactions energy: -29.089
where: short stacking energy: -29.089
Base-Backbone interact. energy: -0.050
local terms energy: -44.926669
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -88.311050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.311050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.311050 (E_RNA)
where:
Base-Base interactions energy: -38.643
where: short stacking energy: -38.145
Base-Backbone interact. energy: -0.102
local terms energy: -49.565775
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -200.885917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.885917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.885917 (E_RNA)
where:
Base-Base interactions energy: -131.760
where: short stacking energy: -67.572
Base-Backbone interact. energy: -0.374
local terms energy: -68.751642
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -16.309
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: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -198.737229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.737229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.737229 (E_RNA)
where:
Base-Base interactions energy: -130.348
where: short stacking energy: -63.624
Base-Backbone interact. energy: -0.010
local terms energy: -68.379432
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -201.028993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.028993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.028993 (E_RNA)
where:
Base-Base interactions energy: -135.145
where: short stacking energy: -52.680
Base-Backbone interact. energy: -0.019
local terms energy: -65.865538
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -158.866686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.866686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.866686 (E_RNA)
where:
Base-Base interactions energy: -98.067
where: short stacking energy: -53.341
Base-Backbone interact. energy: -0.046
local terms energy: -60.753647
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -6.144
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: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -169.544360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.544360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.544360 (E_RNA)
where:
Base-Base interactions energy: -122.609
where: short stacking energy: -56.737
Base-Backbone interact. energy: -0.429
local terms energy: -46.506498
where:
bonds (distance) C4'-P energy: -8.976
bonds (distance) P-C4' energy: -8.556
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -7.359
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: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -162.148337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.148337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.148337 (E_RNA)
where:
Base-Base interactions energy: -96.096
where: short stacking energy: -58.010
Base-Backbone interact. energy: -0.032
local terms energy: -66.020057
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -94.465013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.465013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.465013 (E_RNA)
where:
Base-Base interactions energy: -47.077
where: short stacking energy: -26.051
Base-Backbone interact. energy: 0.955
local terms energy: -48.342365
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -87.786562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.786562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.786562 (E_RNA)
where:
Base-Base interactions energy: -40.786
where: short stacking energy: -40.665
Base-Backbone interact. energy: 1.032
local terms energy: -48.032261
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -86.382867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.382867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.382867 (E_RNA)
where:
Base-Base interactions energy: -30.120
where: short stacking energy: -24.435
Base-Backbone interact. energy: -0.161
local terms energy: -56.101821
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -7.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -82.085344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.085344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.085344 (E_RNA)
where:
Base-Base interactions energy: -34.024
where: short stacking energy: -29.529
Base-Backbone interact. energy: -0.149
local terms energy: -47.912981
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -3.572
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: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -198.419139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.419139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.419139 (E_RNA)
where:
Base-Base interactions energy: -130.088
where: short stacking energy: -60.697
Base-Backbone interact. energy: -0.124
local terms energy: -68.206787
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -205.091033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.091033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.091033 (E_RNA)
where:
Base-Base interactions energy: -135.298
where: short stacking energy: -62.792
Base-Backbone interact. energy: -0.043
local terms energy: -69.750208
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -13.930
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: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -196.171615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.171615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.171615 (E_RNA)
where:
Base-Base interactions energy: -127.577
where: short stacking energy: -55.928
Base-Backbone interact. energy: -0.352
local terms energy: -68.242635
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -14.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -183.818444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.818444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.818444 (E_RNA)
where:
Base-Base interactions energy: -116.655
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.200
local terms energy: -66.963679
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -11.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -181.747518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.747518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.747518 (E_RNA)
where:
Base-Base interactions energy: -115.076
where: short stacking energy: -60.014
Base-Backbone interact. energy: -0.279
local terms energy: -66.393079
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -169.841282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.841282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.841282 (E_RNA)
where:
Base-Base interactions energy: -105.304
where: short stacking energy: -41.516
Base-Backbone interact. energy: 1.262
local terms energy: -65.799777
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -10.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -92.433966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.433966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.433966 (E_RNA)
where:
Base-Base interactions energy: -44.469
where: short stacking energy: -41.257
Base-Backbone interact. energy: -0.281
local terms energy: -47.683276
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -89.521825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.521825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.521825 (E_RNA)
where:
Base-Base interactions energy: -46.725
where: short stacking energy: -39.238
Base-Backbone interact. energy: -0.181
local terms energy: -42.615174
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -8.199
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -99.490773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.490773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.490773 (E_RNA)
where:
Base-Base interactions energy: -48.925
where: short stacking energy: -44.125
Base-Backbone interact. energy: -0.009
local terms energy: -50.556949
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -10.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -82.543260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.543260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.543260 (E_RNA)
where:
Base-Base interactions energy: -34.573
where: short stacking energy: -30.328
Base-Backbone interact. energy: -0.164
local terms energy: -47.805554
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -204.022016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.022016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.022016 (E_RNA)
where:
Base-Base interactions energy: -134.153
where: short stacking energy: -58.135
Base-Backbone interact. energy: -0.019
local terms energy: -69.849950
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -14.393
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: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -206.171633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.171633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.171633 (E_RNA)
where:
Base-Base interactions energy: -131.173
where: short stacking energy: -57.575
Base-Backbone interact. energy: 0.355
local terms energy: -75.353620
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -12.105
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: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -187.509708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.509708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.509708 (E_RNA)
where:
Base-Base interactions energy: -125.732
where: short stacking energy: -54.722
Base-Backbone interact. energy: -0.016
local terms energy: -61.761634
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -196.210251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.210251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.210251 (E_RNA)
where:
Base-Base interactions energy: -131.005
where: short stacking energy: -58.156
Base-Backbone interact. energy: -0.321
local terms energy: -64.884666
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -168.802245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.802245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.802245 (E_RNA)
where:
Base-Base interactions energy: -109.205
where: short stacking energy: -46.540
Base-Backbone interact. energy: -0.002
local terms energy: -59.594805
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -6.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -168.659600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.659600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.659600 (E_RNA)
where:
Base-Base interactions energy: -110.437
where: short stacking energy: -52.487
Base-Backbone interact. energy: -0.103
local terms energy: -58.119468
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -99.244289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.244289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.244289 (E_RNA)
where:
Base-Base interactions energy: -47.123
where: short stacking energy: -33.500
Base-Backbone interact. energy: -0.070
local terms energy: -52.051739
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: 0.700
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: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -88.172710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.172710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.172710 (E_RNA)
where:
Base-Base interactions energy: -33.312
where: short stacking energy: -33.182
Base-Backbone interact. energy: -0.070
local terms energy: -54.790427
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -80.379387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.379387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.379387 (E_RNA)
where:
Base-Base interactions energy: -38.612
where: short stacking energy: -28.939
Base-Backbone interact. energy: -0.573
local terms energy: -41.193982
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: 0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -74.127139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.127139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.127139 (E_RNA)
where:
Base-Base interactions energy: -21.418
where: short stacking energy: -21.067
Base-Backbone interact. energy: -0.025
local terms energy: -52.684530
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -218.969210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.969210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.969210 (E_RNA)
where:
Base-Base interactions energy: -152.488
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.258
local terms energy: -66.223481
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -200.023982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.023982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.023982 (E_RNA)
where:
Base-Base interactions energy: -126.593
where: short stacking energy: -63.927
Base-Backbone interact. energy: -0.588
local terms energy: -72.843591
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -198.122809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.122809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.122809 (E_RNA)
where:
Base-Base interactions energy: -127.942
where: short stacking energy: -52.000
Base-Backbone interact. energy: 0.510
local terms energy: -70.690574
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -195.596045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.596045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.596045 (E_RNA)
where:
Base-Base interactions energy: -128.702
where: short stacking energy: -57.270
Base-Backbone interact. energy: -0.182
local terms energy: -66.711884
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -164.453408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.453408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.453408 (E_RNA)
where:
Base-Base interactions energy: -94.035
where: short stacking energy: -43.020
Base-Backbone interact. energy: -1.215
local terms energy: -69.203750
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -10.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -149.986751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.986751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.986751 (E_RNA)
where:
Base-Base interactions energy: -89.395
where: short stacking energy: -44.746
Base-Backbone interact. energy: -0.129
local terms energy: -60.461841
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -9.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -98.166290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.166290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.166290 (E_RNA)
where:
Base-Base interactions energy: -41.739
where: short stacking energy: -41.485
Base-Backbone interact. energy: -0.109
local terms energy: -56.318062
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -7.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -89.839375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.839375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.839375 (E_RNA)
where:
Base-Base interactions energy: -38.310
where: short stacking energy: -38.078
Base-Backbone interact. energy: -0.011
local terms energy: -51.517897
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -8.857
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: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -74.716490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.716490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.716490 (E_RNA)
where:
Base-Base interactions energy: -35.324
where: short stacking energy: -15.813
Base-Backbone interact. energy: -0.153
local terms energy: -39.239476
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: 0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -79.284254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.284254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.284254 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -22.320
Base-Backbone interact. energy: -0.137
local terms energy: -44.291521
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -3.794
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -208.638109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.638109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.638109 (E_RNA)
where:
Base-Base interactions energy: -140.867
where: short stacking energy: -66.225
Base-Backbone interact. energy: -0.006
local terms energy: -67.764982
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -14.008
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: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -207.694381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.694381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.694381 (E_RNA)
where:
Base-Base interactions energy: -133.510
where: short stacking energy: -64.493
Base-Backbone interact. energy: -0.988
local terms energy: -73.196424
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -188.999751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.999751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.999751 (E_RNA)
where:
Base-Base interactions energy: -116.853
where: short stacking energy: -67.781
Base-Backbone interact. energy: -0.107
local terms energy: -72.040060
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -18.686
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: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -191.503105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.503105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.503105 (E_RNA)
where:
Base-Base interactions energy: -126.248
where: short stacking energy: -60.976
Base-Backbone interact. energy: -0.004
local terms energy: -65.251994
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -177.203004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.203004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.203004 (E_RNA)
where:
Base-Base interactions energy: -108.379
where: short stacking energy: -65.703
Base-Backbone interact. energy: -0.002
local terms energy: -68.821921
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -159.046270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.046270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.046270 (E_RNA)
where:
Base-Base interactions energy: -98.431
where: short stacking energy: -42.945
Base-Backbone interact. energy: -0.297
local terms energy: -60.318616
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -96.768130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.768130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.768130 (E_RNA)
where:
Base-Base interactions energy: -47.260
where: short stacking energy: -47.260
Base-Backbone interact. energy: -0.024
local terms energy: -49.483863
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -10.328
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -87.447536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.447536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.447536 (E_RNA)
where:
Base-Base interactions energy: -37.938
where: short stacking energy: -35.538
Base-Backbone interact. energy: -0.068
local terms energy: -49.441577
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -78.253709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.253709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.253709 (E_RNA)
where:
Base-Base interactions energy: -36.962
where: short stacking energy: -36.962
Base-Backbone interact. energy: -0.043
local terms energy: -41.249437
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -8.769
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -3.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -79.583997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.583997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.583997 (E_RNA)
where:
Base-Base interactions energy: -22.938
where: short stacking energy: -22.938
Base-Backbone interact. energy: -0.075
local terms energy: -56.571143
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -211.262366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.262366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.262366 (E_RNA)
where:
Base-Base interactions energy: -140.446
where: short stacking energy: -66.425
Base-Backbone interact. energy: -0.159
local terms energy: -70.658106
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -7.579
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: 2, replica: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -199.867058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.867058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.867058 (E_RNA)
where:
Base-Base interactions energy: -128.067
where: short stacking energy: -61.249
Base-Backbone interact. energy: 0.078
local terms energy: -71.878468
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -199.594668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.594668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.594668 (E_RNA)
where:
Base-Base interactions energy: -133.834
where: short stacking energy: -68.139
Base-Backbone interact. energy: -0.005
local terms energy: -65.755627
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -171.778683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.778683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.778683 (E_RNA)
where:
Base-Base interactions energy: -104.980
where: short stacking energy: -50.937
Base-Backbone interact. energy: -0.000
local terms energy: -66.798559
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -16.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -155.545489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.545489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.545489 (E_RNA)
where:
Base-Base interactions energy: -93.542
where: short stacking energy: -53.967
Base-Backbone interact. energy: -0.005
local terms energy: -61.998446
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -8.527
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -11.372
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: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -149.546207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.546207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.546207 (E_RNA)
where:
Base-Base interactions energy: -92.124
where: short stacking energy: -40.186
Base-Backbone interact. energy: -0.124
local terms energy: -57.298027
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -8.648
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -11.461
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: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -92.947812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.947812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.947812 (E_RNA)
where:
Base-Base interactions energy: -37.071
where: short stacking energy: -25.417
Base-Backbone interact. energy: -0.017
local terms energy: -55.859346
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -105.197292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.197292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.197292 (E_RNA)
where:
Base-Base interactions energy: -49.095
where: short stacking energy: -20.928
Base-Backbone interact. energy: -0.283
local terms energy: -55.819313
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: 0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -91.468707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.468707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.468707 (E_RNA)
where:
Base-Base interactions energy: -45.883
where: short stacking energy: -28.148
Base-Backbone interact. energy: -0.162
local terms energy: -45.423336
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -4.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -86.566124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.566124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.566124 (E_RNA)
where:
Base-Base interactions energy: -32.557
where: short stacking energy: -30.711
Base-Backbone interact. energy: -0.056
local terms energy: -53.952650
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -4.864
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: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -207.452912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.452912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.452912 (E_RNA)
where:
Base-Base interactions energy: -138.776
where: short stacking energy: -61.015
Base-Backbone interact. energy: 0.273
local terms energy: -68.950306
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -10.251
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: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -206.435999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.435999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.435999 (E_RNA)
where:
Base-Base interactions energy: -144.585
where: short stacking energy: -60.508
Base-Backbone interact. energy: -0.419
local terms energy: -61.432069
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -183.669421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.669421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.669421 (E_RNA)
where:
Base-Base interactions energy: -116.781
where: short stacking energy: -63.206
Base-Backbone interact. energy: -0.034
local terms energy: -66.854139
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -7.372
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -12.437
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: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -176.744343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.744343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.744343 (E_RNA)
where:
Base-Base interactions energy: -107.729
where: short stacking energy: -58.706
Base-Backbone interact. energy: -0.758
local terms energy: -68.257425
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -11.357
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: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -156.757096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.757096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.757096 (E_RNA)
where:
Base-Base interactions energy: -88.432
where: short stacking energy: -52.684
Base-Backbone interact. energy: -0.752
local terms energy: -67.572617
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -12.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -156.808399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.808399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.808399 (E_RNA)
where:
Base-Base interactions energy: -88.348
where: short stacking energy: -47.182
Base-Backbone interact. energy: -0.148
local terms energy: -68.312418
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -105.923678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.923678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.923678 (E_RNA)
where:
Base-Base interactions energy: -58.736
where: short stacking energy: -25.687
Base-Backbone interact. energy: 0.190
local terms energy: -47.376833
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -2.545
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -82.984299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.984299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.984299 (E_RNA)
where:
Base-Base interactions energy: -36.997
where: short stacking energy: -32.944
Base-Backbone interact. energy: 0.506
local terms energy: -46.492848
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -71.766782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.766782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.766782 (E_RNA)
where:
Base-Base interactions energy: -24.727
where: short stacking energy: -17.165
Base-Backbone interact. energy: -0.839
local terms energy: -46.200107
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: 2.941
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: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -77.347326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.347326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.347326 (E_RNA)
where:
Base-Base interactions energy: -31.321
where: short stacking energy: -29.478
Base-Backbone interact. energy: -0.201
local terms energy: -45.825607
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: 1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -211.690474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.690474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.690474 (E_RNA)
where:
Base-Base interactions energy: -144.510
where: short stacking energy: -61.692
Base-Backbone interact. energy: -0.038
local terms energy: -67.143214
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -192.099667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.099667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.099667 (E_RNA)
where:
Base-Base interactions energy: -122.616
where: short stacking energy: -69.192
Base-Backbone interact. energy: -0.001
local terms energy: -69.482372
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -186.811105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.811105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.811105 (E_RNA)
where:
Base-Base interactions energy: -122.607
where: short stacking energy: -54.761
Base-Backbone interact. energy: -0.158
local terms energy: -64.046467
where:
bonds (distance) C4'-P energy: -8.190
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.735
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: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -170.118634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.118634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.118634 (E_RNA)
where:
Base-Base interactions energy: -111.800
where: short stacking energy: -52.934
Base-Backbone interact. energy: -0.149
local terms energy: -58.169082
where:
bonds (distance) C4'-P energy: -7.707
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -161.392556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.392556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.392556 (E_RNA)
where:
Base-Base interactions energy: -93.416
where: short stacking energy: -47.570
Base-Backbone interact. energy: -0.033
local terms energy: -67.943813
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -154.523480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.523480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.523480 (E_RNA)
where:
Base-Base interactions energy: -101.069
where: short stacking energy: -45.010
Base-Backbone interact. energy: -0.066
local terms energy: -53.387908
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -93.369589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.369589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.369589 (E_RNA)
where:
Base-Base interactions energy: -32.200
where: short stacking energy: -26.522
Base-Backbone interact. energy: -0.698
local terms energy: -60.471182
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -102.426647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.426647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.426647 (E_RNA)
where:
Base-Base interactions energy: -61.454
where: short stacking energy: -39.598
Base-Backbone interact. energy: 2.599
local terms energy: -43.571346
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -8.837
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -3.178
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: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -83.238910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.238910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.238910 (E_RNA)
where:
Base-Base interactions energy: -30.157
where: short stacking energy: -21.135
Base-Backbone interact. energy: -0.305
local terms energy: -52.776446
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -5.926
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: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -91.658959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.658959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.658959 (E_RNA)
where:
Base-Base interactions energy: -40.700
where: short stacking energy: -20.066
Base-Backbone interact. energy: -1.091
local terms energy: -49.868432
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -202.286633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.286633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.286633 (E_RNA)
where:
Base-Base interactions energy: -136.361
where: short stacking energy: -50.037
Base-Backbone interact. energy: -0.523
local terms energy: -65.402760
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -11.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -188.841621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.841621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.841621 (E_RNA)
where:
Base-Base interactions energy: -131.587
where: short stacking energy: -51.036
Base-Backbone interact. energy: -0.133
local terms energy: -57.122410
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -10.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -187.805359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.805359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.805359 (E_RNA)
where:
Base-Base interactions energy: -122.368
where: short stacking energy: -61.493
Base-Backbone interact. energy: -0.004
local terms energy: -65.433472
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -9.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -187.027307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.027307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.027307 (E_RNA)
where:
Base-Base interactions energy: -125.478
where: short stacking energy: -50.651
Base-Backbone interact. energy: -0.645
local terms energy: -60.903887
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -161.187196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.187196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.187196 (E_RNA)
where:
Base-Base interactions energy: -89.857
where: short stacking energy: -50.601
Base-Backbone interact. energy: -1.915
local terms energy: -69.415592
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -155.968731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.968731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.968731 (E_RNA)
where:
Base-Base interactions energy: -101.282
where: short stacking energy: -43.775
Base-Backbone interact. energy: -0.077
local terms energy: -54.610038
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -8.062
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: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -98.071253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.071253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.071253 (E_RNA)
where:
Base-Base interactions energy: -31.792
where: short stacking energy: -27.800
Base-Backbone interact. energy: -0.056
local terms energy: -66.222470
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -86.493265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.493265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.493265 (E_RNA)
where:
Base-Base interactions energy: -33.408
where: short stacking energy: -22.260
Base-Backbone interact. energy: -0.075
local terms energy: -53.009455
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: 1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -95.028467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.028467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.028467 (E_RNA)
where:
Base-Base interactions energy: -32.586
where: short stacking energy: -30.611
Base-Backbone interact. energy: -0.056
local terms energy: -62.387028
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -3.378
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: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -90.330026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.330026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.330026 (E_RNA)
where:
Base-Base interactions energy: -42.779
where: short stacking energy: -38.614
Base-Backbone interact. energy: -0.016
local terms energy: -47.535240
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -10.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -204.941159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.941159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.941159 (E_RNA)
where:
Base-Base interactions energy: -132.529
where: short stacking energy: -60.678
Base-Backbone interact. energy: -0.122
local terms energy: -72.290268
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -16.518
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: 466
Temperature: 0.950000
Total energy: -201.234572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.234572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.234572 (E_RNA)
where:
Base-Base interactions energy: -132.780
where: short stacking energy: -59.788
Base-Backbone interact. energy: -0.095
local terms energy: -68.359569
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -7.115
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: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -184.707855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.707855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.707855 (E_RNA)
where:
Base-Base interactions energy: -117.836
where: short stacking energy: -57.142
Base-Backbone interact. energy: -0.058
local terms energy: -66.813757
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -13.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -170.894656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.894656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.894656 (E_RNA)
where:
Base-Base interactions energy: -106.926
where: short stacking energy: -49.919
Base-Backbone interact. energy: 0.186
local terms energy: -64.154792
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -171.586016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.586016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.586016 (E_RNA)
where:
Base-Base interactions energy: -108.097
where: short stacking energy: -51.435
Base-Backbone interact. energy: -0.166
local terms energy: -63.323036
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -160.059251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.059251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.059251 (E_RNA)
where:
Base-Base interactions energy: -98.117
where: short stacking energy: -41.006
Base-Backbone interact. energy: -0.570
local terms energy: -61.371853
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -99.597756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.597756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.597756 (E_RNA)
where:
Base-Base interactions energy: -42.205
where: short stacking energy: -35.714
Base-Backbone interact. energy: -0.158
local terms energy: -57.234548
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -80.419786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.419786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.419786 (E_RNA)
where:
Base-Base interactions energy: -35.820
where: short stacking energy: -22.170
Base-Backbone interact. energy: -1.051
local terms energy: -43.548877
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -83.823140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.823140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.823140 (E_RNA)
where:
Base-Base interactions energy: -32.620
where: short stacking energy: -32.620
Base-Backbone interact. energy: -0.223
local terms energy: -50.979857
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -82.177739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.177739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.177739 (E_RNA)
where:
Base-Base interactions energy: -22.610
where: short stacking energy: -21.796
Base-Backbone interact. energy: -1.051
local terms energy: -58.516311
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -4.223
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: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -209.859032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.859032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.859032 (E_RNA)
where:
Base-Base interactions energy: -132.823
where: short stacking energy: -63.110
Base-Backbone interact. energy: -2.044
local terms energy: -74.992031
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -200.269472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.269472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.269472 (E_RNA)
where:
Base-Base interactions energy: -133.065
where: short stacking energy: -49.993
Base-Backbone interact. energy: -0.181
local terms energy: -67.023581
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -7.647
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: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -192.971565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.971565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.971565 (E_RNA)
where:
Base-Base interactions energy: -116.204
where: short stacking energy: -64.750
Base-Backbone interact. energy: -0.000
local terms energy: -76.767806
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -163.261634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.261634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.261634 (E_RNA)
where:
Base-Base interactions energy: -109.274
where: short stacking energy: -47.589
Base-Backbone interact. energy: -0.041
local terms energy: -53.947541
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -160.603142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.603142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.603142 (E_RNA)
where:
Base-Base interactions energy: -105.209
where: short stacking energy: -60.767
Base-Backbone interact. energy: -0.104
local terms energy: -55.290229
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -12.752
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: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -155.247841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.247841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.247841 (E_RNA)
where:
Base-Base interactions energy: -97.309
where: short stacking energy: -48.016
Base-Backbone interact. energy: -0.238
local terms energy: -57.700775
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -3.865
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -86.979259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.979259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.979259 (E_RNA)
where:
Base-Base interactions energy: -35.875
where: short stacking energy: -25.758
Base-Backbone interact. energy: 0.893
local terms energy: -51.997009
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -85.674752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.674752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.674752 (E_RNA)
where:
Base-Base interactions energy: -35.397
where: short stacking energy: -30.520
Base-Backbone interact. energy: -0.014
local terms energy: -50.264158
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -98.799909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.799909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.799909 (E_RNA)
where:
Base-Base interactions energy: -36.848
where: short stacking energy: -35.400
Base-Backbone interact. energy: 0.162
local terms energy: -62.114648
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -6.279
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: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -80.898999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.898999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.898999 (E_RNA)
where:
Base-Base interactions energy: -36.918
where: short stacking energy: -28.448
Base-Backbone interact. energy: -0.104
local terms energy: -43.876636
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -8.791
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -207.264666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.264666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.264666 (E_RNA)
where:
Base-Base interactions energy: -136.916
where: short stacking energy: -65.088
Base-Backbone interact. energy: -0.098
local terms energy: -70.250660
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -195.222303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.222303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.222303 (E_RNA)
where:
Base-Base interactions energy: -128.439
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.011
local terms energy: -66.771846
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -183.248502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.248502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.248502 (E_RNA)
where:
Base-Base interactions energy: -115.240
where: short stacking energy: -40.322
Base-Backbone interact. energy: -0.084
local terms energy: -67.924293
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -12.660
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: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -175.300598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.300598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.300598 (E_RNA)
where:
Base-Base interactions energy: -110.039
where: short stacking energy: -55.634
Base-Backbone interact. energy: -0.395
local terms energy: -64.866309
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -149.198289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.198289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.198289 (E_RNA)
where:
Base-Base interactions energy: -86.297
where: short stacking energy: -42.380
Base-Backbone interact. energy: -0.948
local terms energy: -61.953342
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -153.945323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.945323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.945323 (E_RNA)
where:
Base-Base interactions energy: -93.592
where: short stacking energy: -50.751
Base-Backbone interact. energy: -0.333
local terms energy: -60.020543
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -10.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -92.742107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.742107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.742107 (E_RNA)
where:
Base-Base interactions energy: -42.095
where: short stacking energy: -26.923
Base-Backbone interact. energy: 0.749
local terms energy: -51.396561
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -84.362740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.362740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.362740 (E_RNA)
where:
Base-Base interactions energy: -41.399
where: short stacking energy: -41.399
Base-Backbone interact. energy: -0.102
local terms energy: -42.861496
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -9.357
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -76.776408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.776408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.776408 (E_RNA)
where:
Base-Base interactions energy: -34.317
where: short stacking energy: -23.358
Base-Backbone interact. energy: -0.361
local terms energy: -42.098975
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -6.187
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -80.325643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.325643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.325643 (E_RNA)
where:
Base-Base interactions energy: -32.751
where: short stacking energy: -33.351
Base-Backbone interact. energy: -0.017
local terms energy: -47.557375
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -210.757404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.757404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.757404 (E_RNA)
where:
Base-Base interactions energy: -135.736
where: short stacking energy: -58.312
Base-Backbone interact. energy: -0.077
local terms energy: -74.945111
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -15.675
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: 2, replica: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -202.730600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.730600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.730600 (E_RNA)
where:
Base-Base interactions energy: -134.075
where: short stacking energy: -56.152
Base-Backbone interact. energy: -0.380
local terms energy: -68.275808
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -10.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -201.505059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.505059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.505059 (E_RNA)
where:
Base-Base interactions energy: -138.429
where: short stacking energy: -58.253
Base-Backbone interact. energy: -0.074
local terms energy: -63.002419
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -159.173955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.173955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.173955 (E_RNA)
where:
Base-Base interactions energy: -94.949
where: short stacking energy: -46.042
Base-Backbone interact. energy: -0.194
local terms energy: -64.030984
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -7.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -156.812732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.812732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.812732 (E_RNA)
where:
Base-Base interactions energy: -93.113
where: short stacking energy: -49.674
Base-Backbone interact. energy: -0.045
local terms energy: -63.654302
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -10.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -97.464808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.464808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.464808 (E_RNA)
where:
Base-Base interactions energy: -43.599
where: short stacking energy: -25.773
Base-Backbone interact. energy: -0.342
local terms energy: -53.524121
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -153.673765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.673765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.673765 (E_RNA)
where:
Base-Base interactions energy: -101.882
where: short stacking energy: -54.333
Base-Backbone interact. energy: -0.009
local terms energy: -51.782725
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -2.432
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -92.714596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.714596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.714596 (E_RNA)
where:
Base-Base interactions energy: -39.297
where: short stacking energy: -38.705
Base-Backbone interact. energy: -0.085
local terms energy: -53.332483
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -81.958470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.958470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.958470 (E_RNA)
where:
Base-Base interactions energy: -34.948
where: short stacking energy: -34.948
Base-Backbone interact. energy: 0.767
local terms energy: -47.778056
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -81.245054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.245054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.245054 (E_RNA)
where:
Base-Base interactions energy: -41.498
where: short stacking energy: -21.567
Base-Backbone interact. energy: -0.704
local terms energy: -39.042154
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: 2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -207.988466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.988466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.988466 (E_RNA)
where:
Base-Base interactions energy: -132.844
where: short stacking energy: -72.729
Base-Backbone interact. energy: -0.078
local terms energy: -75.066641
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -194.076821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.076821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.076821 (E_RNA)
where:
Base-Base interactions energy: -127.596
where: short stacking energy: -54.370
Base-Backbone interact. energy: -0.084
local terms energy: -66.397035
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -10.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -202.356018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.356018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.356018 (E_RNA)
where:
Base-Base interactions energy: -136.319
where: short stacking energy: -63.053
Base-Backbone interact. energy: -1.155
local terms energy: -64.882350
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -183.176871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.176871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.176871 (E_RNA)
where:
Base-Base interactions energy: -115.923
where: short stacking energy: -52.229
Base-Backbone interact. energy: -1.046
local terms energy: -66.207867
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -164.803547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.803547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.803547 (E_RNA)
where:
Base-Base interactions energy: -98.775
where: short stacking energy: -59.356
Base-Backbone interact. energy: 0.307
local terms energy: -66.334739
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -8.493
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: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -93.270141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.270141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.270141 (E_RNA)
where:
Base-Base interactions energy: -31.654
where: short stacking energy: -23.347
Base-Backbone interact. energy: -0.579
local terms energy: -61.037269
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -117.784319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.784319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.784319 (E_RNA)
where:
Base-Base interactions energy: -58.846
where: short stacking energy: -39.083
Base-Backbone interact. energy: -0.949
local terms energy: -57.989916
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -7.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -141.473855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.473855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.473855 (E_RNA)
where:
Base-Base interactions energy: -84.133
where: short stacking energy: -37.056
Base-Backbone interact. energy: -0.156
local terms energy: -57.184468
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -7.081
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: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -87.143331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143331 (E_RNA)
where:
Base-Base interactions energy: -38.785
where: short stacking energy: -38.785
Base-Backbone interact. energy: -0.139
local terms energy: -48.218787
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -7.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -79.486566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.486566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.486566 (E_RNA)
where:
Base-Base interactions energy: -28.185
where: short stacking energy: -23.062
Base-Backbone interact. energy: -0.045
local terms energy: -51.256970
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -210.223213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.223213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.223213 (E_RNA)
where:
Base-Base interactions energy: -137.052
where: short stacking energy: -62.447
Base-Backbone interact. energy: -0.006
local terms energy: -73.165803
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -197.185085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.185085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.185085 (E_RNA)
where:
Base-Base interactions energy: -127.878
where: short stacking energy: -55.594
Base-Backbone interact. energy: 0.485
local terms energy: -69.792560
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -185.998474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.998474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.998474 (E_RNA)
where:
Base-Base interactions energy: -113.178
where: short stacking energy: -57.124
Base-Backbone interact. energy: 0.259
local terms energy: -73.079472
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -14.559
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: 471
Temperature: 1.050000
Total energy: -179.914470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.914470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.914470 (E_RNA)
where:
Base-Base interactions energy: -116.270
where: short stacking energy: -55.565
Base-Backbone interact. energy: -0.069
local terms energy: -63.575205
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -13.308
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: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -182.187926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.187926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.187926 (E_RNA)
where:
Base-Base interactions energy: -113.626
where: short stacking energy: -64.387
Base-Backbone interact. energy: -0.416
local terms energy: -68.145911
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -8.380
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: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -107.183946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.183946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.183946 (E_RNA)
where:
Base-Base interactions energy: -46.463
where: short stacking energy: -44.241
Base-Backbone interact. energy: -1.104
local terms energy: -59.616996
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -84.403012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.403012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.403012 (E_RNA)
where:
Base-Base interactions energy: -31.413
where: short stacking energy: -23.841
Base-Backbone interact. energy: 1.424
local terms energy: -54.413838
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -144.496522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.496522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.496522 (E_RNA)
where:
Base-Base interactions energy: -86.333
where: short stacking energy: -41.493
Base-Backbone interact. energy: -0.714
local terms energy: -57.449752
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -85.897872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.897872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.897872 (E_RNA)
where:
Base-Base interactions energy: -32.201
where: short stacking energy: -32.201
Base-Backbone interact. energy: -0.103
local terms energy: -53.594250
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -6.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -84.724326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.724326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.724326 (E_RNA)
where:
Base-Base interactions energy: -35.202
where: short stacking energy: -28.973
Base-Backbone interact. energy: -0.036
local terms energy: -49.485777
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -212.156808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.156808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.156808 (E_RNA)
where:
Base-Base interactions energy: -134.977
where: short stacking energy: -70.109
Base-Backbone interact. energy: 0.594
local terms energy: -77.773867
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -12.922
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: 2, replica: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -203.862700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.862700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.862700 (E_RNA)
where:
Base-Base interactions energy: -130.425
where: short stacking energy: -60.210
Base-Backbone interact. energy: -0.015
local terms energy: -73.422435
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -18.006
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: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -196.079972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.079972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.079972 (E_RNA)
where:
Base-Base interactions energy: -123.513
where: short stacking energy: -58.509
Base-Backbone interact. energy: -0.087
local terms energy: -72.480900
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -176.246011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.246011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.246011 (E_RNA)
where:
Base-Base interactions energy: -110.493
where: short stacking energy: -60.254
Base-Backbone interact. energy: -0.864
local terms energy: -64.888586
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -14.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -171.799243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.799243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.799243 (E_RNA)
where:
Base-Base interactions energy: -109.693
where: short stacking energy: -39.569
Base-Backbone interact. energy: 0.479
local terms energy: -62.585495
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -117.971351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.971351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.971351 (E_RNA)
where:
Base-Base interactions energy: -57.171
where: short stacking energy: -52.235
Base-Backbone interact. energy: -0.235
local terms energy: -60.565959
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -11.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -142.946559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.946559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.946559 (E_RNA)
where:
Base-Base interactions energy: -85.879
where: short stacking energy: -49.071
Base-Backbone interact. energy: -0.404
local terms energy: -56.664277
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -85.451252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.451252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.451252 (E_RNA)
where:
Base-Base interactions energy: -33.030
where: short stacking energy: -24.987
Base-Backbone interact. energy: -0.143
local terms energy: -52.277949
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -4.726
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: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -85.875944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.875944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.875944 (E_RNA)
where:
Base-Base interactions energy: -32.840
where: short stacking energy: -32.840
Base-Backbone interact. energy: -0.140
local terms energy: -52.895705
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -6.182
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -78.014499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.014499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.014499 (E_RNA)
where:
Base-Base interactions energy: -30.334
where: short stacking energy: -27.316
Base-Backbone interact. energy: -0.275
local terms energy: -47.405708
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -200.447984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.447984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.447984 (E_RNA)
where:
Base-Base interactions energy: -132.875
where: short stacking energy: -58.978
Base-Backbone interact. energy: -0.649
local terms energy: -66.924170
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -204.538959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.538959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.538959 (E_RNA)
where:
Base-Base interactions energy: -130.801
where: short stacking energy: -72.866
Base-Backbone interact. energy: -0.011
local terms energy: -73.726702
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -10.707
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: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -199.988043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.988043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.988043 (E_RNA)
where:
Base-Base interactions energy: -136.062
where: short stacking energy: -63.019
Base-Backbone interact. energy: 0.474
local terms energy: -64.399392
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -182.251167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.251167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.251167 (E_RNA)
where:
Base-Base interactions energy: -120.428
where: short stacking energy: -53.740
Base-Backbone interact. energy: 1.312
local terms energy: -63.135386
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -10.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -167.654472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.654472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.654472 (E_RNA)
where:
Base-Base interactions energy: -104.682
where: short stacking energy: -56.149
Base-Backbone interact. energy: -0.101
local terms energy: -62.871247
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -12.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -163.089354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.089354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.089354 (E_RNA)
where:
Base-Base interactions energy: -98.869
where: short stacking energy: -54.404
Base-Backbone interact. energy: -0.688
local terms energy: -63.532723
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -16.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -102.280083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.280083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.280083 (E_RNA)
where:
Base-Base interactions energy: -39.175
where: short stacking energy: -31.386
Base-Backbone interact. energy: -0.096
local terms energy: -63.008974
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -7.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -81.974704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.974704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.974704 (E_RNA)
where:
Base-Base interactions energy: -34.402
where: short stacking energy: -24.923
Base-Backbone interact. energy: -0.091
local terms energy: -47.481741
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: 1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -89.679941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.679941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.679941 (E_RNA)
where:
Base-Base interactions energy: -37.131
where: short stacking energy: -37.131
Base-Backbone interact. energy: -0.180
local terms energy: -52.368749
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -84.214143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.214143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.214143 (E_RNA)
where:
Base-Base interactions energy: -31.233
where: short stacking energy: -21.575
Base-Backbone interact. energy: -0.152
local terms energy: -52.828676
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -202.588281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.588281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.588281 (E_RNA)
where:
Base-Base interactions energy: -129.266
where: short stacking energy: -65.622
Base-Backbone interact. energy: 0.391
local terms energy: -73.713144
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -197.302109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.302109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.302109 (E_RNA)
where:
Base-Base interactions energy: -121.161
where: short stacking energy: -70.077
Base-Backbone interact. energy: 0.248
local terms energy: -76.389094
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -200.423114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.423114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.423114 (E_RNA)
where:
Base-Base interactions energy: -125.578
where: short stacking energy: -64.847
Base-Backbone interact. energy: 0.534
local terms energy: -75.380028
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -18.600
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: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -180.446908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.446908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.446908 (E_RNA)
where:
Base-Base interactions energy: -124.753
where: short stacking energy: -53.285
Base-Backbone interact. energy: -0.304
local terms energy: -55.390588
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -10.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -154.100428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.100428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.100428 (E_RNA)
where:
Base-Base interactions energy: -91.005
where: short stacking energy: -41.321
Base-Backbone interact. energy: -0.010
local terms energy: -63.086082
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -12.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -163.687106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.687106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.687106 (E_RNA)
where:
Base-Base interactions energy: -109.194
where: short stacking energy: -45.261
Base-Backbone interact. energy: -0.372
local terms energy: -54.120550
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -100.348560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.348560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.348560 (E_RNA)
where:
Base-Base interactions energy: -40.141
where: short stacking energy: -37.296
Base-Backbone interact. energy: -0.842
local terms energy: -59.365172
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -84.032239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.032239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.032239 (E_RNA)
where:
Base-Base interactions energy: -34.513
where: short stacking energy: -22.425
Base-Backbone interact. energy: 0.481
local terms energy: -50.000186
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -1.520
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: 2
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -89.452415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.452415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.452415 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -27.654
Base-Backbone interact. energy: -0.325
local terms energy: -52.157412
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -3.310
tors. eta vs tors. theta energy: -1.530
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: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -81.748136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.748136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.748136 (E_RNA)
where:
Base-Base interactions energy: -24.422
where: short stacking energy: -24.422
Base-Backbone interact. energy: -0.100
local terms energy: -57.226577
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -7.686
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: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -207.939434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.939434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.939434 (E_RNA)
where:
Base-Base interactions energy: -131.072
where: short stacking energy: -63.558
Base-Backbone interact. energy: 0.489
local terms energy: -77.356420
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -206.559933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.559933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.559933 (E_RNA)
where:
Base-Base interactions energy: -143.562
where: short stacking energy: -56.125
Base-Backbone interact. energy: 0.883
local terms energy: -63.881493
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -12.489
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: 475
Temperature: 1.000000
Total energy: -180.092634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.092634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.092634 (E_RNA)
where:
Base-Base interactions energy: -106.619
where: short stacking energy: -47.840
Base-Backbone interact. energy: -0.004
local terms energy: -73.469451
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -13.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -167.512145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.512145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.512145 (E_RNA)
where:
Base-Base interactions energy: -103.793
where: short stacking energy: -60.088
Base-Backbone interact. energy: -0.159
local terms energy: -63.559775
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -163.789200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.789200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.789200 (E_RNA)
where:
Base-Base interactions energy: -100.023
where: short stacking energy: -46.148
Base-Backbone interact. energy: 2.383
local terms energy: -66.148989
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -11.661
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: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -167.482357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.482357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.482357 (E_RNA)
where:
Base-Base interactions energy: -106.415
where: short stacking energy: -42.673
Base-Backbone interact. energy: -0.238
local terms energy: -60.830307
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -9.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -115.566284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.566284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.566284 (E_RNA)
where:
Base-Base interactions energy: -63.640
where: short stacking energy: -48.154
Base-Backbone interact. energy: 1.290
local terms energy: -53.216400
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -6.981
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -9.883
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: 475
Temperature: 1.250000
Total energy: -78.198713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.198713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.198713 (E_RNA)
where:
Base-Base interactions energy: -28.473
where: short stacking energy: -21.164
Base-Backbone interact. energy: 0.421
local terms energy: -50.146506
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: 1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -87.181951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.181951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.181951 (E_RNA)
where:
Base-Base interactions energy: -39.048
where: short stacking energy: -35.131
Base-Backbone interact. energy: -0.087
local terms energy: -48.046854
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -10.275
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -2.976
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: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -80.038540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.038540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.038540 (E_RNA)
where:
Base-Base interactions energy: -33.535
where: short stacking energy: -26.196
Base-Backbone interact. energy: -0.225
local terms energy: -46.278851
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -210.289478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.289478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.289478 (E_RNA)
where:
Base-Base interactions energy: -143.538
where: short stacking energy: -60.109
Base-Backbone interact. energy: -0.109
local terms energy: -66.642469
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -192.883823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.883823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.883823 (E_RNA)
where:
Base-Base interactions energy: -124.795
where: short stacking energy: -48.489
Base-Backbone interact. energy: -0.254
local terms energy: -67.835778
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -12.710
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: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -182.255858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.255858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.255858 (E_RNA)
where:
Base-Base interactions energy: -114.451
where: short stacking energy: -50.913
Base-Backbone interact. energy: -0.043
local terms energy: -67.761557
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -186.613883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.613883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.613883 (E_RNA)
where:
Base-Base interactions energy: -114.738
where: short stacking energy: -60.810
Base-Backbone interact. energy: -0.213
local terms energy: -71.663311
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -155.591611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.591611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.591611 (E_RNA)
where:
Base-Base interactions energy: -100.778
where: short stacking energy: -34.455
Base-Backbone interact. energy: -0.282
local terms energy: -54.531194
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -8.367
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -163.610046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.610046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.610046 (E_RNA)
where:
Base-Base interactions energy: -104.073
where: short stacking energy: -56.166
Base-Backbone interact. energy: -0.579
local terms energy: -58.958392
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -7.582
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -94.684191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.684191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.684191 (E_RNA)
where:
Base-Base interactions energy: -40.418
where: short stacking energy: -35.943
Base-Backbone interact. energy: -0.168
local terms energy: -54.097796
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -7.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -88.838932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.838932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.838932 (E_RNA)
where:
Base-Base interactions energy: -31.033
where: short stacking energy: -13.536
Base-Backbone interact. energy: -0.278
local terms energy: -57.527434
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -92.180284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.180284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.180284 (E_RNA)
where:
Base-Base interactions energy: -41.649
where: short stacking energy: -30.008
Base-Backbone interact. energy: -0.772
local terms energy: -49.759337
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -7.504
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -79.073313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.073313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.073313 (E_RNA)
where:
Base-Base interactions energy: -32.924
where: short stacking energy: -32.924
Base-Backbone interact. energy: -0.014
local terms energy: -46.134542
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -0.454
tors. eta vs tors. theta energy: -0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -208.677878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.677878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.677878 (E_RNA)
where:
Base-Base interactions energy: -138.923
where: short stacking energy: -61.022
Base-Backbone interact. energy: 0.278
local terms energy: -70.033055
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -199.121209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.121209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.121209 (E_RNA)
where:
Base-Base interactions energy: -124.678
where: short stacking energy: -68.366
Base-Backbone interact. energy: -0.220
local terms energy: -74.222788
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -191.795783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.795783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.795783 (E_RNA)
where:
Base-Base interactions energy: -119.318
where: short stacking energy: -62.878
Base-Backbone interact. energy: 0.316
local terms energy: -72.794104
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -17.985
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: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -181.561767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.561767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.561767 (E_RNA)
where:
Base-Base interactions energy: -118.791
where: short stacking energy: -48.186
Base-Backbone interact. energy: -0.099
local terms energy: -62.672640
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -165.348437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.348437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.348437 (E_RNA)
where:
Base-Base interactions energy: -101.720
where: short stacking energy: -52.037
Base-Backbone interact. energy: 0.845
local terms energy: -64.473336
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -10.828
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: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -167.619411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.619411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.619411 (E_RNA)
where:
Base-Base interactions energy: -97.238
where: short stacking energy: -56.049
Base-Backbone interact. energy: -0.117
local terms energy: -70.264205
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -18.849
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: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -87.659575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.659575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.659575 (E_RNA)
where:
Base-Base interactions energy: -31.074
where: short stacking energy: -31.074
Base-Backbone interact. energy: -0.015
local terms energy: -56.570769
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: 0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -85.142714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.142714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.142714 (E_RNA)
where:
Base-Base interactions energy: -36.340
where: short stacking energy: -29.732
Base-Backbone interact. energy: -0.160
local terms energy: -48.642967
where:
bonds (distance) C4'-P energy: -7.363
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -86.213171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.213171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.213171 (E_RNA)
where:
Base-Base interactions energy: -34.121
where: short stacking energy: -26.035
Base-Backbone interact. energy: -0.093
local terms energy: -51.999403
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -83.477162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.477162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.477162 (E_RNA)
where:
Base-Base interactions energy: -35.924
where: short stacking energy: -29.978
Base-Backbone interact. energy: -0.807
local terms energy: -46.746195
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -7.812
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -207.899229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.899229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.899229 (E_RNA)
where:
Base-Base interactions energy: -128.018
where: short stacking energy: -64.521
Base-Backbone interact. energy: -1.135
local terms energy: -78.746819
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -11.652
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: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -201.379806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.379806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.379806 (E_RNA)
where:
Base-Base interactions energy: -124.110
where: short stacking energy: -57.438
Base-Backbone interact. energy: -0.244
local terms energy: -77.026423
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -188.623484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.623484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.623484 (E_RNA)
where:
Base-Base interactions energy: -125.692
where: short stacking energy: -50.699
Base-Backbone interact. energy: -0.386
local terms energy: -62.544895
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -8.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -178.711859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.711859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.711859 (E_RNA)
where:
Base-Base interactions energy: -115.557
where: short stacking energy: -48.627
Base-Backbone interact. energy: -0.164
local terms energy: -62.991426
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -11.376
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: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -167.052132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.052132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.052132 (E_RNA)
where:
Base-Base interactions energy: -104.013
where: short stacking energy: -47.935
Base-Backbone interact. energy: -0.545
local terms energy: -62.494058
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -8.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -155.949108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.949108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.949108 (E_RNA)
where:
Base-Base interactions energy: -97.418
where: short stacking energy: -48.366
Base-Backbone interact. energy: -0.067
local terms energy: -58.464376
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -95.009785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.009785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.009785 (E_RNA)
where:
Base-Base interactions energy: -36.312
where: short stacking energy: -30.853
Base-Backbone interact. energy: -1.037
local terms energy: -57.661224
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -84.849079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.849079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.849079 (E_RNA)
where:
Base-Base interactions energy: -39.553
where: short stacking energy: -32.732
Base-Backbone interact. energy: -1.331
local terms energy: -43.965289
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: 0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -82.185659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.185659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.185659 (E_RNA)
where:
Base-Base interactions energy: -41.607
where: short stacking energy: -24.674
Base-Backbone interact. energy: -0.710
local terms energy: -39.868652
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: 3.773
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: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -88.534578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.534578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.534578 (E_RNA)
where:
Base-Base interactions energy: -37.717
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.267
local terms energy: -50.550408
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -205.220149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.220149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.220149 (E_RNA)
where:
Base-Base interactions energy: -125.073
where: short stacking energy: -71.711
Base-Backbone interact. energy: -0.180
local terms energy: -79.967032
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -189.566369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.566369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.566369 (E_RNA)
where:
Base-Base interactions energy: -119.922
where: short stacking energy: -54.712
Base-Backbone interact. energy: 0.729
local terms energy: -70.373390
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -193.409956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.409956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.409956 (E_RNA)
where:
Base-Base interactions energy: -125.415
where: short stacking energy: -62.084
Base-Backbone interact. energy: -0.045
local terms energy: -67.950376
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -174.371926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.371926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.371926 (E_RNA)
where:
Base-Base interactions energy: -110.132
where: short stacking energy: -45.840
Base-Backbone interact. energy: -0.083
local terms energy: -64.156089
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -175.025992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.025992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.025992 (E_RNA)
where:
Base-Base interactions energy: -111.916
where: short stacking energy: -45.889
Base-Backbone interact. energy: -0.354
local terms energy: -62.755993
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -8.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -140.040244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.040244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.040244 (E_RNA)
where:
Base-Base interactions energy: -86.959
where: short stacking energy: -40.367
Base-Backbone interact. energy: -1.481
local terms energy: -51.600456
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -107.262012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.262012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.262012 (E_RNA)
where:
Base-Base interactions energy: -54.675
where: short stacking energy: -32.599
Base-Backbone interact. energy: -0.020
local terms energy: -52.566926
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -93.254206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.254206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.254206 (E_RNA)
where:
Base-Base interactions energy: -34.464
where: short stacking energy: -28.600
Base-Backbone interact. energy: -0.065
local terms energy: -58.725096
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -6.230
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: 9, replica: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -83.811754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.811754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.811754 (E_RNA)
where:
Base-Base interactions energy: -24.732
where: short stacking energy: -21.416
Base-Backbone interact. energy: -0.111
local terms energy: -58.968607
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -91.458638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.458638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.458638 (E_RNA)
where:
Base-Base interactions energy: -46.447
where: short stacking energy: -32.833
Base-Backbone interact. energy: -0.060
local terms energy: -44.952011
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -201.680588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.680588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.680588 (E_RNA)
where:
Base-Base interactions energy: -128.417
where: short stacking energy: -60.785
Base-Backbone interact. energy: -0.218
local terms energy: -73.045459
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -210.319896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.319896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.319896 (E_RNA)
where:
Base-Base interactions energy: -131.844
where: short stacking energy: -76.286
Base-Backbone interact. energy: -0.001
local terms energy: -78.474482
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -200.846481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.846481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.846481 (E_RNA)
where:
Base-Base interactions energy: -132.583
where: short stacking energy: -55.873
Base-Backbone interact. energy: -0.280
local terms energy: -67.984027
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -170.800222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.800222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.800222 (E_RNA)
where:
Base-Base interactions energy: -103.970
where: short stacking energy: -57.970
Base-Backbone interact. energy: 0.552
local terms energy: -67.382234
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -182.830528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.830528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.830528 (E_RNA)
where:
Base-Base interactions energy: -112.961
where: short stacking energy: -62.495
Base-Backbone interact. energy: -0.321
local terms energy: -69.548475
where:
bonds (distance) C4'-P energy: -8.212
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -140.840907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.840907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.840907 (E_RNA)
where:
Base-Base interactions energy: -80.465
where: short stacking energy: -40.197
Base-Backbone interact. energy: -0.113
local terms energy: -60.262701
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -12.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -91.618438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.618438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.618438 (E_RNA)
where:
Base-Base interactions energy: -39.325
where: short stacking energy: -36.422
Base-Backbone interact. energy: -1.380
local terms energy: -50.913510
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -86.977242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.977242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.977242 (E_RNA)
where:
Base-Base interactions energy: -31.560
where: short stacking energy: -20.407
Base-Backbone interact. energy: -0.702
local terms energy: -54.715172
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -74.587298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.587298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.587298 (E_RNA)
where:
Base-Base interactions energy: -27.763
where: short stacking energy: -27.763
Base-Backbone interact. energy: -0.106
local terms energy: -46.717537
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -74.953215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.953215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.953215 (E_RNA)
where:
Base-Base interactions energy: -27.698
where: short stacking energy: -22.720
Base-Backbone interact. energy: -0.237
local terms energy: -47.018655
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -207.428260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.428260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.428260 (E_RNA)
where:
Base-Base interactions energy: -133.597
where: short stacking energy: -60.445
Base-Backbone interact. energy: -0.416
local terms energy: -73.415707
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -199.540818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.540818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.540818 (E_RNA)
where:
Base-Base interactions energy: -138.923
where: short stacking energy: -47.676
Base-Backbone interact. energy: -0.233
local terms energy: -60.385113
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -193.111684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.111684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.111684 (E_RNA)
where:
Base-Base interactions energy: -116.889
where: short stacking energy: -54.887
Base-Backbone interact. energy: -0.841
local terms energy: -75.382621
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -173.615924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.615924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.615924 (E_RNA)
where:
Base-Base interactions energy: -113.108
where: short stacking energy: -41.498
Base-Backbone interact. energy: -0.070
local terms energy: -60.438083
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -174.667348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.667348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.667348 (E_RNA)
where:
Base-Base interactions energy: -109.108
where: short stacking energy: -45.957
Base-Backbone interact. energy: -0.033
local terms energy: -65.526177
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -167.741728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.741728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.741728 (E_RNA)
where:
Base-Base interactions energy: -101.140
where: short stacking energy: -59.573
Base-Backbone interact. energy: -0.216
local terms energy: -66.385404
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -88.729957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.729957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.729957 (E_RNA)
where:
Base-Base interactions energy: -37.910
where: short stacking energy: -32.315
Base-Backbone interact. energy: -1.137
local terms energy: -49.682548
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -91.063629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.063629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.063629 (E_RNA)
where:
Base-Base interactions energy: -38.756
where: short stacking energy: -35.044
Base-Backbone interact. energy: -0.126
local terms energy: -52.181269
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -99.441188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.441188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.441188 (E_RNA)
where:
Base-Base interactions energy: -39.948
where: short stacking energy: -27.378
Base-Backbone interact. energy: -0.748
local terms energy: -58.745373
where:
bonds (distance) C4'-P energy: -7.467
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -76.464492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.464492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.464492 (E_RNA)
where:
Base-Base interactions energy: -21.962
where: short stacking energy: -18.340
Base-Backbone interact. energy: -0.027
local terms energy: -54.475587
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -199.806447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.806447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.806447 (E_RNA)
where:
Base-Base interactions energy: -133.639
where: short stacking energy: -58.587
Base-Backbone interact. energy: -0.013
local terms energy: -66.154622
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -6.923
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: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -198.066810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.066810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.066810 (E_RNA)
where:
Base-Base interactions energy: -141.514
where: short stacking energy: -49.893
Base-Backbone interact. energy: -0.847
local terms energy: -55.705889
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -201.076523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.076523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.076523 (E_RNA)
where:
Base-Base interactions energy: -127.001
where: short stacking energy: -60.646
Base-Backbone interact. energy: -0.006
local terms energy: -74.070333
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -17.774
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: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -182.538830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.538830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.538830 (E_RNA)
where:
Base-Base interactions energy: -117.743
where: short stacking energy: -50.276
Base-Backbone interact. energy: -0.100
local terms energy: -64.696290
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -14.702
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: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -157.118293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.118293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.118293 (E_RNA)
where:
Base-Base interactions energy: -93.629
where: short stacking energy: -53.097
Base-Backbone interact. energy: -0.300
local terms energy: -63.189186
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -170.028879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.028879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.028879 (E_RNA)
where:
Base-Base interactions energy: -105.967
where: short stacking energy: -45.426
Base-Backbone interact. energy: -0.017
local terms energy: -64.045338
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -5.845
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: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -115.240216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.240216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.240216 (E_RNA)
where:
Base-Base interactions energy: -63.473
where: short stacking energy: -27.353
Base-Backbone interact. energy: -1.488
local terms energy: -50.279578
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -98.968288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.968288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.968288 (E_RNA)
where:
Base-Base interactions energy: -44.469
where: short stacking energy: -21.545
Base-Backbone interact. energy: -0.529
local terms energy: -53.969597
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -85.143442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.143442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.143442 (E_RNA)
where:
Base-Base interactions energy: -35.746
where: short stacking energy: -30.178
Base-Backbone interact. energy: 1.592
local terms energy: -50.989106
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -76.835844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.835844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.835844 (E_RNA)
where:
Base-Base interactions energy: -34.606
where: short stacking energy: -17.897
Base-Backbone interact. energy: 1.026
local terms energy: -43.255099
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: 6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -199.916651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.916651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.916651 (E_RNA)
where:
Base-Base interactions energy: -128.656
where: short stacking energy: -60.459
Base-Backbone interact. energy: -0.159
local terms energy: -71.101551
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -209.640845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.640845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.640845 (E_RNA)
where:
Base-Base interactions energy: -145.271
where: short stacking energy: -51.920
Base-Backbone interact. energy: -0.971
local terms energy: -63.398334
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -7.851
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -13.046
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: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -199.282053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.282053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.282053 (E_RNA)
where:
Base-Base interactions energy: -133.937
where: short stacking energy: -50.374
Base-Backbone interact. energy: -1.285
local terms energy: -64.060103
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -178.421679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.421679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.421679 (E_RNA)
where:
Base-Base interactions energy: -125.268
where: short stacking energy: -50.105
Base-Backbone interact. energy: -0.055
local terms energy: -53.098250
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -11.784
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: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -157.578712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.578712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.578712 (E_RNA)
where:
Base-Base interactions energy: -96.703
where: short stacking energy: -57.984
Base-Backbone interact. energy: -0.111
local terms energy: -60.764018
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -169.639686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.639686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.639686 (E_RNA)
where:
Base-Base interactions energy: -115.700
where: short stacking energy: -46.380
Base-Backbone interact. energy: -0.148
local terms energy: -53.792100
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -10.072
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -10.930
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: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -102.084890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.084890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.084890 (E_RNA)
where:
Base-Base interactions energy: -53.027
where: short stacking energy: -32.751
Base-Backbone interact. energy: -0.269
local terms energy: -48.788711
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -4.118
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -93.947515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.947515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.947515 (E_RNA)
where:
Base-Base interactions energy: -55.389
where: short stacking energy: -34.455
Base-Backbone interact. energy: -0.143
local terms energy: -38.414870
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -7.487
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: 2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -88.908586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.908586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.908586 (E_RNA)
where:
Base-Base interactions energy: -38.979
where: short stacking energy: -28.813
Base-Backbone interact. energy: -0.317
local terms energy: -49.612746
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -76.418775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.418775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.418775 (E_RNA)
where:
Base-Base interactions energy: -25.535
where: short stacking energy: -25.535
Base-Backbone interact. energy: 2.407
local terms energy: -53.290784
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -212.492865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.492865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.492865 (E_RNA)
where:
Base-Base interactions energy: -138.683
where: short stacking energy: -60.891
Base-Backbone interact. energy: -0.010
local terms energy: -73.799778
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -10.841
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: 2, replica: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -195.636209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.636209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.636209 (E_RNA)
where:
Base-Base interactions energy: -122.595
where: short stacking energy: -59.281
Base-Backbone interact. energy: -0.039
local terms energy: -73.002506
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -9.107
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: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -178.270420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.270420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.270420 (E_RNA)
where:
Base-Base interactions energy: -110.503
where: short stacking energy: -61.625
Base-Backbone interact. energy: -0.633
local terms energy: -67.135149
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -177.516341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.516341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.516341 (E_RNA)
where:
Base-Base interactions energy: -113.389
where: short stacking energy: -59.069
Base-Backbone interact. energy: -0.016
local terms energy: -64.111006
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -12.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -153.233975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.233975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.233975 (E_RNA)
where:
Base-Base interactions energy: -93.730
where: short stacking energy: -43.768
Base-Backbone interact. energy: -0.085
local terms energy: -59.418459
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -8.277
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: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -169.263977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.263977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.263977 (E_RNA)
where:
Base-Base interactions energy: -104.128
where: short stacking energy: -40.202
Base-Backbone interact. energy: -0.030
local terms energy: -65.105410
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -88.968831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.968831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.968831 (E_RNA)
where:
Base-Base interactions energy: -42.913
where: short stacking energy: -30.724
Base-Backbone interact. energy: -0.512
local terms energy: -45.544426
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: 2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -89.645579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.645579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.645579 (E_RNA)
where:
Base-Base interactions energy: -33.694
where: short stacking energy: -24.935
Base-Backbone interact. energy: -0.199
local terms energy: -55.751941
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -79.650586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.650586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.650586 (E_RNA)
where:
Base-Base interactions energy: -32.564
where: short stacking energy: -22.669
Base-Backbone interact. energy: -0.036
local terms energy: -47.050268
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -87.640035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.640035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.640035 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -28.183
Base-Backbone interact. energy: -1.091
local terms energy: -45.961080
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -3.050
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -211.296009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.296009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.296009 (E_RNA)
where:
Base-Base interactions energy: -135.395
where: short stacking energy: -61.900
Base-Backbone interact. energy: -0.012
local terms energy: -75.889638
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -16.885
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: 485
Temperature: 0.950000
Total energy: -204.354257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.354257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.354257 (E_RNA)
where:
Base-Base interactions energy: -130.797
where: short stacking energy: -64.102
Base-Backbone interact. energy: 0.077
local terms energy: -73.634173
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -204.458255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.458255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.458255 (E_RNA)
where:
Base-Base interactions energy: -133.677
where: short stacking energy: -64.216
Base-Backbone interact. energy: -0.237
local terms energy: -70.544183
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -174.277949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.277949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.277949 (E_RNA)
where:
Base-Base interactions energy: -111.286
where: short stacking energy: -42.434
Base-Backbone interact. energy: 0.236
local terms energy: -63.228378
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -166.800325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.800325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.800325 (E_RNA)
where:
Base-Base interactions energy: -98.368
where: short stacking energy: -46.572
Base-Backbone interact. energy: -1.677
local terms energy: -66.755766
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -141.971569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.971569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.971569 (E_RNA)
where:
Base-Base interactions energy: -91.756
where: short stacking energy: -45.006
Base-Backbone interact. energy: -0.412
local terms energy: -49.802742
where:
bonds (distance) C4'-P energy: -6.406
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -100.400161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.400161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.400161 (E_RNA)
where:
Base-Base interactions energy: -36.469
where: short stacking energy: -26.147
Base-Backbone interact. energy: -0.937
local terms energy: -62.994531
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -90.730137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.730137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.730137 (E_RNA)
where:
Base-Base interactions energy: -51.718
where: short stacking energy: -31.620
Base-Backbone interact. energy: -0.922
local terms energy: -38.089739
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -2.125
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -80.135085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.135085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.135085 (E_RNA)
where:
Base-Base interactions energy: -39.650
where: short stacking energy: -34.843
Base-Backbone interact. energy: -0.155
local terms energy: -40.329910
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -1.191
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -79.627630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.627630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.627630 (E_RNA)
where:
Base-Base interactions energy: -30.700
where: short stacking energy: -30.700
Base-Backbone interact. energy: 0.427
local terms energy: -49.354750
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -201.882048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.882048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.882048 (E_RNA)
where:
Base-Base interactions energy: -142.449
where: short stacking energy: -57.024
Base-Backbone interact. energy: 1.695
local terms energy: -61.128202
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -3.845
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -201.404506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.404506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.404506 (E_RNA)
where:
Base-Base interactions energy: -135.942
where: short stacking energy: -57.869
Base-Backbone interact. energy: -0.081
local terms energy: -65.381460
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -10.536
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: 3, replica: 9
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -195.499643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.499643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.499643 (E_RNA)
where:
Base-Base interactions energy: -125.383
where: short stacking energy: -54.509
Base-Backbone interact. energy: -0.021
local terms energy: -70.095630
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -9.947
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: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -176.079955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.079955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.079955 (E_RNA)
where:
Base-Base interactions energy: -108.994
where: short stacking energy: -59.222
Base-Backbone interact. energy: -0.729
local terms energy: -66.357276
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -11.564
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: 5, replica: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -169.075985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.075985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.075985 (E_RNA)
where:
Base-Base interactions energy: -105.233
where: short stacking energy: -54.330
Base-Backbone interact. energy: -0.010
local terms energy: -63.832443
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -156.814458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.814458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.814458 (E_RNA)
where:
Base-Base interactions energy: -94.463
where: short stacking energy: -45.837
Base-Backbone interact. energy: -1.460
local terms energy: -60.891466
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -10.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -97.410025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.410025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.410025 (E_RNA)
where:
Base-Base interactions energy: -51.940
where: short stacking energy: -18.606
Base-Backbone interact. energy: -0.364
local terms energy: -45.105446
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -8.289
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -90.697573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.697573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.697573 (E_RNA)
where:
Base-Base interactions energy: -44.958
where: short stacking energy: -36.650
Base-Backbone interact. energy: -0.143
local terms energy: -45.596110
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -3.395
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -89.347002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.347002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.347002 (E_RNA)
where:
Base-Base interactions energy: -34.900
where: short stacking energy: -34.900
Base-Backbone interact. energy: -0.035
local terms energy: -54.412597
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -4.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -79.701042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.701042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.701042 (E_RNA)
where:
Base-Base interactions energy: -42.660
where: short stacking energy: -23.706
Base-Backbone interact. energy: 2.061
local terms energy: -39.102575
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -204.538299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.538299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.538299 (E_RNA)
where:
Base-Base interactions energy: -136.677
where: short stacking energy: -64.843
Base-Backbone interact. energy: -0.023
local terms energy: -67.838791
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -206.460876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.460876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.460876 (E_RNA)
where:
Base-Base interactions energy: -138.520
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.388
local terms energy: -67.552492
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -184.276438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.276438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.276438 (E_RNA)
where:
Base-Base interactions energy: -119.824
where: short stacking energy: -54.458
Base-Backbone interact. energy: -0.089
local terms energy: -64.363838
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -176.679076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.679076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.679076 (E_RNA)
where:
Base-Base interactions energy: -110.056
where: short stacking energy: -60.654
Base-Backbone interact. energy: -0.034
local terms energy: -66.589243
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -15.742
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: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -178.714600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.714600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.714600 (E_RNA)
where:
Base-Base interactions energy: -114.835
where: short stacking energy: -53.188
Base-Backbone interact. energy: -0.109
local terms energy: -63.770184
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -11.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -99.981299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.981299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.981299 (E_RNA)
where:
Base-Base interactions energy: -54.678
where: short stacking energy: -23.985
Base-Backbone interact. energy: 0.457
local terms energy: -45.760661
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: 2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -166.756815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.756815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.756815 (E_RNA)
where:
Base-Base interactions energy: -107.091
where: short stacking energy: -53.966
Base-Backbone interact. energy: -0.148
local terms energy: -59.518136
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -14.622
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: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -99.153127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.153127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.153127 (E_RNA)
where:
Base-Base interactions energy: -42.257
where: short stacking energy: -36.272
Base-Backbone interact. energy: 1.398
local terms energy: -58.294176
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -87.103468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.103468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.103468 (E_RNA)
where:
Base-Base interactions energy: -42.351
where: short stacking energy: -25.728
Base-Backbone interact. energy: 4.366
local terms energy: -49.118327
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -3.401
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -74.415534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.415534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.415534 (E_RNA)
where:
Base-Base interactions energy: -31.161
where: short stacking energy: -17.031
Base-Backbone interact. energy: -1.123
local terms energy: -42.131571
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: 3.167
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: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -204.341212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.341212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.341212 (E_RNA)
where:
Base-Base interactions energy: -129.678
where: short stacking energy: -64.231
Base-Backbone interact. energy: -0.003
local terms energy: -74.659657
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -179.947143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.947143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.947143 (E_RNA)
where:
Base-Base interactions energy: -105.581
where: short stacking energy: -51.350
Base-Backbone interact. energy: -0.164
local terms energy: -74.201656
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -12.471
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: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -187.613023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.613023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.613023 (E_RNA)
where:
Base-Base interactions energy: -129.562
where: short stacking energy: -49.917
Base-Backbone interact. energy: -1.093
local terms energy: -56.957063
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -167.628167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.628167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.628167 (E_RNA)
where:
Base-Base interactions energy: -112.019
where: short stacking energy: -45.379
Base-Backbone interact. energy: -0.063
local terms energy: -55.546550
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -167.581861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.581861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.581861 (E_RNA)
where:
Base-Base interactions energy: -105.587
where: short stacking energy: -54.348
Base-Backbone interact. energy: -0.261
local terms energy: -61.734727
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -9.403
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: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -98.763661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.763661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.763661 (E_RNA)
where:
Base-Base interactions energy: -38.614
where: short stacking energy: -38.264
Base-Backbone interact. energy: -0.160
local terms energy: -59.989196
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -7.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -144.511272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.511272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.511272 (E_RNA)
where:
Base-Base interactions energy: -92.435
where: short stacking energy: -42.895
Base-Backbone interact. energy: -0.156
local terms energy: -51.920153
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -82.273526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.273526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.273526 (E_RNA)
where:
Base-Base interactions energy: -36.448
where: short stacking energy: -23.681
Base-Backbone interact. energy: -0.111
local terms energy: -45.714175
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -3.490
tors. eta vs tors. theta energy: 0.727
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: 9, replica: 2
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -122.666399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.666399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.666399 (E_RNA)
where:
Base-Base interactions energy: -74.021
where: short stacking energy: -28.059
Base-Backbone interact. energy: -0.783
local terms energy: -47.862174
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -4.141
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -100.338910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.338910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.338910 (E_RNA)
where:
Base-Base interactions energy: -49.006
where: short stacking energy: -42.152
Base-Backbone interact. energy: -1.160
local terms energy: -50.173302
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -0.402
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -199.120698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.120698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.120698 (E_RNA)
where:
Base-Base interactions energy: -128.210
where: short stacking energy: -62.824
Base-Backbone interact. energy: -0.043
local terms energy: -70.867861
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -17.028
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: 2, replica: 4
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -202.073132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.073132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.073132 (E_RNA)
where:
Base-Base interactions energy: -127.338
where: short stacking energy: -67.406
Base-Backbone interact. energy: -0.414
local terms energy: -74.321174
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -182.992156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.992156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.992156 (E_RNA)
where:
Base-Base interactions energy: -112.479
where: short stacking energy: -63.321
Base-Backbone interact. energy: -0.000
local terms energy: -70.512367
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -10.681
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: 4, replica: 1
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -161.876220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.876220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.876220 (E_RNA)
where:
Base-Base interactions energy: -102.377
where: short stacking energy: -51.379
Base-Backbone interact. energy: -0.018
local terms energy: -59.481317
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -161.961737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.961737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.961737 (E_RNA)
where:
Base-Base interactions energy: -107.222
where: short stacking energy: -54.604
Base-Backbone interact. energy: -0.124
local terms energy: -54.616329
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -147.516690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.516690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.516690 (E_RNA)
where:
Base-Base interactions energy: -96.806
where: short stacking energy: -44.227
Base-Backbone interact. energy: -0.091
local terms energy: -50.620074
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -96.698480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.698480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.698480 (E_RNA)
where:
Base-Base interactions energy: -38.297
where: short stacking energy: -35.178
Base-Backbone interact. energy: -1.835
local terms energy: -56.566100
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -146.307288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.307288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.307288 (E_RNA)
where:
Base-Base interactions energy: -84.177
where: short stacking energy: -39.482
Base-Backbone interact. energy: -0.055
local terms energy: -62.074577
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -10.852
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: 9, replica: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -87.223505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.223505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.223505 (E_RNA)
where:
Base-Base interactions energy: -41.733
where: short stacking energy: -22.126
Base-Backbone interact. energy: -0.294
local terms energy: -45.196421
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -2.583
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: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -79.378207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.378207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.378207 (E_RNA)
where:
Base-Base interactions energy: -31.492
where: short stacking energy: -26.582
Base-Backbone interact. energy: 1.027
local terms energy: -48.912395
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -5.402
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: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -204.556172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.556172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.556172 (E_RNA)
where:
Base-Base interactions energy: -131.883
where: short stacking energy: -65.803
Base-Backbone interact. energy: -0.014
local terms energy: -72.658765
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -194.334820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.334820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.334820 (E_RNA)
where:
Base-Base interactions energy: -122.910
where: short stacking energy: -64.079
Base-Backbone interact. energy: -0.037
local terms energy: -71.387661
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -13.911
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: 3, replica: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -166.841326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.841326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.841326 (E_RNA)
where:
Base-Base interactions energy: -105.080
where: short stacking energy: -43.874
Base-Backbone interact. energy: 0.062
local terms energy: -61.822606
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -186.689493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.689493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.689493 (E_RNA)
where:
Base-Base interactions energy: -116.445
where: short stacking energy: -71.117
Base-Backbone interact. energy: -0.117
local terms energy: -70.127167
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -173.680953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.680953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.680953 (E_RNA)
where:
Base-Base interactions energy: -116.418
where: short stacking energy: -52.678
Base-Backbone interact. energy: -0.243
local terms energy: -57.020293
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -9.623
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -166.392060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.392060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.392060 (E_RNA)
where:
Base-Base interactions energy: -103.670
where: short stacking energy: -50.421
Base-Backbone interact. energy: -0.295
local terms energy: -62.426989
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -2.446
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -150.144257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.144257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.144257 (E_RNA)
where:
Base-Base interactions energy: -96.535
where: short stacking energy: -45.396
Base-Backbone interact. energy: 0.212
local terms energy: -53.820965
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -7.423
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: 8, replica: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -92.329383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.329383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.329383 (E_RNA)
where:
Base-Base interactions energy: -40.359
where: short stacking energy: -39.995
Base-Backbone interact. energy: -0.174
local terms energy: -51.795862
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -100.042992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.042992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.042992 (E_RNA)
where:
Base-Base interactions energy: -42.935
where: short stacking energy: -39.963
Base-Backbone interact. energy: 0.675
local terms energy: -57.782053
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -7.469
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: 5
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -71.284250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.284250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.284250 (E_RNA)
where:
Base-Base interactions energy: -28.838
where: short stacking energy: -17.191
Base-Backbone interact. energy: -0.370
local terms energy: -42.076081
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: 1.614
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: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -199.461752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.461752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.461752 (E_RNA)
where:
Base-Base interactions energy: -129.617
where: short stacking energy: -62.706
Base-Backbone interact. energy: -0.603
local terms energy: -69.241531
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -12.021
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: 2, replica: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -186.336616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.336616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.336616 (E_RNA)
where:
Base-Base interactions energy: -122.993
where: short stacking energy: -56.751
Base-Backbone interact. energy: -0.088
local terms energy: -63.254761
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -197.235059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.235059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.235059 (E_RNA)
where:
Base-Base interactions energy: -132.420
where: short stacking energy: -58.360
Base-Backbone interact. energy: 0.760
local terms energy: -65.575467
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -12.774
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: 4, replica: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -167.255072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.255072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.255072 (E_RNA)
where:
Base-Base interactions energy: -102.061
where: short stacking energy: -50.298
Base-Backbone interact. energy: -0.413
local terms energy: -64.780807
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -9.671
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: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -161.494062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.494062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.494062 (E_RNA)
where:
Base-Base interactions energy: -108.465
where: short stacking energy: -46.268
Base-Backbone interact. energy: 0.296
local terms energy: -53.325341
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -7.005
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: 6, replica: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -143.634016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.634016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.634016 (E_RNA)
where:
Base-Base interactions energy: -92.101
where: short stacking energy: -35.784
Base-Backbone interact. energy: -0.334
local terms energy: -51.199245
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -145.780076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.780076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.780076 (E_RNA)
where:
Base-Base interactions energy: -91.723
where: short stacking energy: -49.709
Base-Backbone interact. energy: -0.372
local terms energy: -53.684677
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -7.811
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -86.520203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.520203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.520203 (E_RNA)
where:
Base-Base interactions energy: -28.331
where: short stacking energy: -27.098
Base-Backbone interact. energy: -0.117
local terms energy: -58.072090
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -92.403243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.403243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.403243 (E_RNA)
where:
Base-Base interactions energy: -36.519
where: short stacking energy: -25.704
Base-Backbone interact. energy: -0.437
local terms energy: -55.447295
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -7.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -71.166018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.166018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.166018 (E_RNA)
where:
Base-Base interactions energy: -25.930
where: short stacking energy: -25.930
Base-Backbone interact. energy: -0.090
local terms energy: -45.146355
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: 2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -213.145044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.145044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.145044 (E_RNA)
where:
Base-Base interactions energy: -141.838
where: short stacking energy: -62.861
Base-Backbone interact. energy: -0.020
local terms energy: -71.286907
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -16.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -197.415021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.415021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.415021 (E_RNA)
where:
Base-Base interactions energy: -130.956
where: short stacking energy: -61.124
Base-Backbone interact. energy: -0.214
local terms energy: -66.244770
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -15.188
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: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -189.091177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.091177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.091177 (E_RNA)
where:
Base-Base interactions energy: -127.007
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.551
local terms energy: -61.532644
where:
bonds (distance) C4'-P energy: -7.478
bonds (distance) P-C4' energy: -5.436
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -13.951
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: 9
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -184.270410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.270410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.270410 (E_RNA)
where:
Base-Base interactions energy: -117.090
where: short stacking energy: -59.035
Base-Backbone interact. energy: -0.429
local terms energy: -66.751024
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -162.844632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.844632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.844632 (E_RNA)
where:
Base-Base interactions energy: -104.856
where: short stacking energy: -45.299
Base-Backbone interact. energy: -1.324
local terms energy: -56.664418
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -10.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -148.777308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.777308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.777308 (E_RNA)
where:
Base-Base interactions energy: -90.482
where: short stacking energy: -43.041
Base-Backbone interact. energy: 1.431
local terms energy: -59.726363
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -8.309
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: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -93.314389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.314389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.314389 (E_RNA)
where:
Base-Base interactions energy: -37.921
where: short stacking energy: -35.086
Base-Backbone interact. energy: -0.148
local terms energy: -55.245106
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -140.340108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.340108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.340108 (E_RNA)
where:
Base-Base interactions energy: -75.565
where: short stacking energy: -44.709
Base-Backbone interact. energy: -0.130
local terms energy: -64.645452
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -11.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -88.274859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.274859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.274859 (E_RNA)
where:
Base-Base interactions energy: -39.827
where: short stacking energy: -27.901
Base-Backbone interact. energy: -0.230
local terms energy: -48.217137
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -74.908886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.908886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.908886 (E_RNA)
where:
Base-Base interactions energy: -22.647
where: short stacking energy: -21.359
Base-Backbone interact. energy: 0.431
local terms energy: -52.692804
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -210.319874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.319874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.319874 (E_RNA)
where:
Base-Base interactions energy: -137.283
where: short stacking energy: -65.246
Base-Backbone interact. energy: -0.245
local terms energy: -72.791941
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -198.693824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.693824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.693824 (E_RNA)
where:
Base-Base interactions energy: -130.190
where: short stacking energy: -54.776
Base-Backbone interact. energy: -0.653
local terms energy: -67.850536
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -10.621
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: 3, replica: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -199.445534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.445534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.445534 (E_RNA)
where:
Base-Base interactions energy: -132.056
where: short stacking energy: -49.608
Base-Backbone interact. energy: -0.488
local terms energy: -66.901553
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -11.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -182.315957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.315957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.315957 (E_RNA)
where:
Base-Base interactions energy: -117.109
where: short stacking energy: -63.402
Base-Backbone interact. energy: -0.060
local terms energy: -65.146564
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.792
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: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -178.422104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.422104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.422104 (E_RNA)
where:
Base-Base interactions energy: -116.669
where: short stacking energy: -64.106
Base-Backbone interact. energy: -0.004
local terms energy: -61.748656
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -16.634
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: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -147.753915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.753915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.753915 (E_RNA)
where:
Base-Base interactions energy: -88.093
where: short stacking energy: -47.644
Base-Backbone interact. energy: -0.101
local terms energy: -59.559967
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -11.974
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: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -89.898524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.898524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.898524 (E_RNA)
where:
Base-Base interactions energy: -41.482
where: short stacking energy: -39.461
Base-Backbone interact. energy: -0.172
local terms energy: -48.245123
where:
bonds (distance) C4'-P energy: -7.182
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -7.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -87.639366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.639366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.639366 (E_RNA)
where:
Base-Base interactions energy: -37.128
where: short stacking energy: -33.206
Base-Backbone interact. energy: -0.042
local terms energy: -50.469448
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -143.502334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.502334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.502334 (E_RNA)
where:
Base-Base interactions energy: -91.078
where: short stacking energy: -41.205
Base-Backbone interact. energy: -0.115
local terms energy: -52.308948
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -7.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -83.210155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.210155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.210155 (E_RNA)
where:
Base-Base interactions energy: -29.872
where: short stacking energy: -22.707
Base-Backbone interact. energy: -0.250
local terms energy: -53.087895
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -201.366487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.366487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.366487 (E_RNA)
where:
Base-Base interactions energy: -126.070
where: short stacking energy: -57.569
Base-Backbone interact. energy: -0.097
local terms energy: -75.199771
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -15.058
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: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -202.918152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.918152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.918152 (E_RNA)
where:
Base-Base interactions energy: -136.036
where: short stacking energy: -60.012
Base-Backbone interact. energy: -0.119
local terms energy: -66.762549
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -185.759583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.759583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.759583 (E_RNA)
where:
Base-Base interactions energy: -122.951
where: short stacking energy: -60.400
Base-Backbone interact. energy: -0.042
local terms energy: -62.767480
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -190.897899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.897899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.897899 (E_RNA)
where:
Base-Base interactions energy: -126.461
where: short stacking energy: -54.713
Base-Backbone interact. energy: -0.011
local terms energy: -64.425982
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -173.342927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.342927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.342927 (E_RNA)
where:
Base-Base interactions energy: -99.293
where: short stacking energy: -47.418
Base-Backbone interact. energy: -0.007
local terms energy: -74.042796
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -12.289
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: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -153.362064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.362064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.362064 (E_RNA)
where:
Base-Base interactions energy: -98.081
where: short stacking energy: -48.704
Base-Backbone interact. energy: -0.449
local terms energy: -54.831934
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -2.246
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -86.864144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.864144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.864144 (E_RNA)
where:
Base-Base interactions energy: -38.562
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.100
local terms energy: -48.201836
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -5.867
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: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -101.389194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.389194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.389194 (E_RNA)
where:
Base-Base interactions energy: -45.700
where: short stacking energy: -28.411
Base-Backbone interact. energy: -0.098
local terms energy: -55.591820
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -129.320906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.320906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.320906 (E_RNA)
where:
Base-Base interactions energy: -79.312
where: short stacking energy: -39.040
Base-Backbone interact. energy: -0.149
local terms energy: -49.860082
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -83.366815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.366815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.366815 (E_RNA)
where:
Base-Base interactions energy: -30.115
where: short stacking energy: -30.115
Base-Backbone interact. energy: -0.102
local terms energy: -53.150145
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -206.077485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.077485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.077485 (E_RNA)
where:
Base-Base interactions energy: -131.518
where: short stacking energy: -59.929
Base-Backbone interact. energy: -0.108
local terms energy: -74.451458
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -197.021082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.021082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.021082 (E_RNA)
where:
Base-Base interactions energy: -131.410
where: short stacking energy: -59.904
Base-Backbone interact. energy: -0.175
local terms energy: -65.435676
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -189.799184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.799184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.799184 (E_RNA)
where:
Base-Base interactions energy: -127.713
where: short stacking energy: -60.571
Base-Backbone interact. energy: -1.090
local terms energy: -60.996358
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -10.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -196.893953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.893953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.893953 (E_RNA)
where:
Base-Base interactions energy: -122.215
where: short stacking energy: -57.246
Base-Backbone interact. energy: -0.008
local terms energy: -74.670967
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -187.757387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.757387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.757387 (E_RNA)
where:
Base-Base interactions energy: -134.219
where: short stacking energy: -58.365
Base-Backbone interact. energy: -0.129
local terms energy: -53.409666
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -99.980604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.980604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.980604 (E_RNA)
where:
Base-Base interactions energy: -41.388
where: short stacking energy: -41.056
Base-Backbone interact. energy: -0.013
local terms energy: -58.579482
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -137.058408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.058408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.058408 (E_RNA)
where:
Base-Base interactions energy: -77.352
where: short stacking energy: -47.825
Base-Backbone interact. energy: -0.106
local terms energy: -59.599854
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -8.923
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: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -110.170044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.170044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.170044 (E_RNA)
where:
Base-Base interactions energy: -60.427
where: short stacking energy: -32.911
Base-Backbone interact. energy: -0.178
local terms energy: -49.565722
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -95.568218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.568218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.568218 (E_RNA)
where:
Base-Base interactions energy: -44.337
where: short stacking energy: -35.421
Base-Backbone interact. energy: 0.493
local terms energy: -51.724207
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -9.562
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: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -79.273785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.273785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.273785 (E_RNA)
where:
Base-Base interactions energy: -41.233
where: short stacking energy: -34.851
Base-Backbone interact. energy: 1.644
local terms energy: -39.684995
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -204.449445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.449445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.449445 (E_RNA)
where:
Base-Base interactions energy: -129.288
where: short stacking energy: -61.807
Base-Backbone interact. energy: -0.100
local terms energy: -75.061715
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -21.357
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: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -199.833586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.833586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.833586 (E_RNA)
where:
Base-Base interactions energy: -133.146
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.108
local terms energy: -66.579669
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -9.579
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: 3, replica: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -202.686322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.686322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.686322 (E_RNA)
where:
Base-Base interactions energy: -129.998
where: short stacking energy: -60.006
Base-Backbone interact. energy: -0.014
local terms energy: -72.674228
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -12.474
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: 4, replica: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -174.763348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.763348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.763348 (E_RNA)
where:
Base-Base interactions energy: -100.603
where: short stacking energy: -58.851
Base-Backbone interact. energy: 0.081
local terms energy: -74.241142
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -16.595
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: 5, replica: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -167.911001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.911001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.911001 (E_RNA)
where:
Base-Base interactions energy: -107.382
where: short stacking energy: -50.272
Base-Backbone interact. energy: 2.062
local terms energy: -62.590373
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -14.849
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: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -97.828780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.828780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.828780 (E_RNA)
where:
Base-Base interactions energy: -44.404
where: short stacking energy: -43.963
Base-Backbone interact. energy: -0.153
local terms energy: -53.271931
where:
bonds (distance) C4'-P energy: -9.459
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -89.786691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.786691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.786691 (E_RNA)
where:
Base-Base interactions energy: -31.503
where: short stacking energy: -19.899
Base-Backbone interact. energy: -0.294
local terms energy: -57.989500
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -99.789945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.789945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.789945 (E_RNA)
where:
Base-Base interactions energy: -43.615
where: short stacking energy: -39.718
Base-Backbone interact. energy: -0.180
local terms energy: -55.994770
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -9.304
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: 3
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -84.876617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.876617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.876617 (E_RNA)
where:
Base-Base interactions energy: -33.089
where: short stacking energy: -30.873
Base-Backbone interact. energy: -0.131
local terms energy: -51.657209
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -76.574885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.574885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.574885 (E_RNA)
where:
Base-Base interactions energy: -41.336
where: short stacking energy: -25.461
Base-Backbone interact. energy: 0.196
local terms energy: -35.434908
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: 2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -213.640478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.640478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.640478 (E_RNA)
where:
Base-Base interactions energy: -141.658
where: short stacking energy: -60.739
Base-Backbone interact. energy: -0.173
local terms energy: -71.808875
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -9.864
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: 2, replica: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -208.253328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.253328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.253328 (E_RNA)
where:
Base-Base interactions energy: -135.188
where: short stacking energy: -64.677
Base-Backbone interact. energy: -0.020
local terms energy: -73.045879
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -204.244310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.244310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.244310 (E_RNA)
where:
Base-Base interactions energy: -145.871
where: short stacking energy: -56.032
Base-Backbone interact. energy: -0.091
local terms energy: -58.282216
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -10.479
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: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -174.360710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.360710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.360710 (E_RNA)
where:
Base-Base interactions energy: -112.664
where: short stacking energy: -41.391
Base-Backbone interact. energy: 0.420
local terms energy: -62.117007
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -6.968
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: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -162.270712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.270712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.270712 (E_RNA)
where:
Base-Base interactions energy: -94.161
where: short stacking energy: -56.178
Base-Backbone interact. energy: -0.502
local terms energy: -67.607740
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -97.205845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.205845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.205845 (E_RNA)
where:
Base-Base interactions energy: -42.943
where: short stacking energy: -30.925
Base-Backbone interact. energy: -0.411
local terms energy: -53.851701
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -93.324565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.324565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.324565 (E_RNA)
where:
Base-Base interactions energy: -37.760
where: short stacking energy: -34.270
Base-Backbone interact. energy: -0.681
local terms energy: -54.883608
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -8.602
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: 2
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -93.079667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.079667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.079667 (E_RNA)
where:
Base-Base interactions energy: -36.741
where: short stacking energy: -27.498
Base-Backbone interact. energy: -0.032
local terms energy: -56.306668
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -83.610885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.610885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.610885 (E_RNA)
where:
Base-Base interactions energy: -29.821
where: short stacking energy: -26.521
Base-Backbone interact. energy: -0.042
local terms energy: -53.748005
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -85.761346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.761346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.761346 (E_RNA)
where:
Base-Base interactions energy: -36.384
where: short stacking energy: -30.244
Base-Backbone interact. energy: -0.035
local terms energy: -49.342484
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -208.218358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.218358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.218358 (E_RNA)
where:
Base-Base interactions energy: -136.564
where: short stacking energy: -58.235
Base-Backbone interact. energy: -0.833
local terms energy: -70.821074
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -11.385
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: 2, replica: 10
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -201.432591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.432591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.432591 (E_RNA)
where:
Base-Base interactions energy: -124.093
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.605
local terms energy: -76.734060
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -196.438620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.438620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.438620 (E_RNA)
where:
Base-Base interactions energy: -139.632
where: short stacking energy: -66.967
Base-Backbone interact. energy: -0.025
local terms energy: -56.781298
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -9.291
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -169.624852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.624852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.624852 (E_RNA)
where:
Base-Base interactions energy: -106.768
where: short stacking energy: -51.331
Base-Backbone interact. energy: 0.411
local terms energy: -63.267934
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -171.410553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.410553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.410553 (E_RNA)
where:
Base-Base interactions energy: -107.328
where: short stacking energy: -48.450
Base-Backbone interact. energy: -0.005
local terms energy: -64.077475
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -9.921
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: 6, replica: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -97.100769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.100769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.100769 (E_RNA)
where:
Base-Base interactions energy: -47.412
where: short stacking energy: -46.577
Base-Backbone interact. energy: -0.009
local terms energy: -49.680019
where:
bonds (distance) C4'-P energy: -6.260
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -9.866
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: 7, replica: 2
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -90.294555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.294555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.294555 (E_RNA)
where:
Base-Base interactions energy: -36.177
where: short stacking energy: -27.232
Base-Backbone interact. energy: -0.203
local terms energy: -53.915012
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -78.189658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.189658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.189658 (E_RNA)
where:
Base-Base interactions energy: -33.651
where: short stacking energy: -32.045
Base-Backbone interact. energy: 1.279
local terms energy: -45.816769
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -73.627356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.627356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.627356 (E_RNA)
where:
Base-Base interactions energy: -20.207
where: short stacking energy: -20.207
Base-Backbone interact. energy: -0.093
local terms energy: -53.326871
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -76.881726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.881726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.881726 (E_RNA)
where:
Base-Base interactions energy: -27.215
where: short stacking energy: -24.134
Base-Backbone interact. energy: -0.112
local terms energy: -49.554725
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -2.994
tors. eta vs tors. theta energy: -4.089
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: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -211.094352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.094352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.094352 (E_RNA)
where:
Base-Base interactions energy: -134.498
where: short stacking energy: -64.906
Base-Backbone interact. energy: -0.007
local terms energy: -76.589937
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -18.029
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: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -188.536037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.536037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.536037 (E_RNA)
where:
Base-Base interactions energy: -125.885
where: short stacking energy: -44.556
Base-Backbone interact. energy: -0.561
local terms energy: -62.090706
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -180.212361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.212361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.212361 (E_RNA)
where:
Base-Base interactions energy: -112.652
where: short stacking energy: -51.265
Base-Backbone interact. energy: -0.269
local terms energy: -67.291246
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -12.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -186.912957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.912957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.912957 (E_RNA)
where:
Base-Base interactions energy: -122.662
where: short stacking energy: -55.024
Base-Backbone interact. energy: -0.043
local terms energy: -64.207452
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -11.173
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: 5, replica: 9
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -159.725486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.725486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.725486 (E_RNA)
where:
Base-Base interactions energy: -100.039
where: short stacking energy: -45.214
Base-Backbone interact. energy: 0.345
local terms energy: -60.031476
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -87.755540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.755540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.755540 (E_RNA)
where:
Base-Base interactions energy: -34.387
where: short stacking energy: -21.533
Base-Backbone interact. energy: 0.818
local terms energy: -54.186852
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: 0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -91.651747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.651747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.651747 (E_RNA)
where:
Base-Base interactions energy: -41.170
where: short stacking energy: -32.852
Base-Backbone interact. energy: -0.008
local terms energy: -50.473206
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -90.614502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.614502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.614502 (E_RNA)
where:
Base-Base interactions energy: -39.720
where: short stacking energy: -35.511
Base-Backbone interact. energy: -0.360
local terms energy: -50.533756
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -85.308743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.308743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.308743 (E_RNA)
where:
Base-Base interactions energy: -37.278
where: short stacking energy: -37.378
Base-Backbone interact. energy: -0.110
local terms energy: -47.920858
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -70.434586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.434586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.434586 (E_RNA)
where:
Base-Base interactions energy: -32.599
where: short stacking energy: -25.186
Base-Backbone interact. energy: -0.228
local terms energy: -37.607640
where:
bonds (distance) C4'-P energy: -5.165
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -8.746
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: 0.398
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: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -211.619348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.619348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.619348 (E_RNA)
where:
Base-Base interactions energy: -136.994
where: short stacking energy: -63.269
Base-Backbone interact. energy: -0.245
local terms energy: -74.380562
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -181.844907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.844907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.844907 (E_RNA)
where:
Base-Base interactions energy: -113.516
where: short stacking energy: -54.985
Base-Backbone interact. energy: -0.131
local terms energy: -68.198329
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -181.916537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.916537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.916537 (E_RNA)
where:
Base-Base interactions energy: -121.193
where: short stacking energy: -61.069
Base-Backbone interact. energy: -0.728
local terms energy: -59.995504
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -14.629
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: 500
Temperature: 1.050000
Total energy: -187.137906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.137906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.137906 (E_RNA)
where:
Base-Base interactions energy: -115.817
where: short stacking energy: -64.579
Base-Backbone interact. energy: -0.032
local terms energy: -71.289363
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -10.569
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: 5, replica: 9
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -149.284666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.284666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.284666 (E_RNA)
where:
Base-Base interactions energy: -89.155
where: short stacking energy: -39.329
Base-Backbone interact. energy: -1.465
local terms energy: -58.664947
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -10.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -116.248214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.248214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.248214 (E_RNA)
where:
Base-Base interactions energy: -57.882
where: short stacking energy: -41.091
Base-Backbone interact. energy: -0.192
local terms energy: -58.174749
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -95.797863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.797863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.797863 (E_RNA)
where:
Base-Base interactions energy: -44.604
where: short stacking energy: -19.795
Base-Backbone interact. energy: 0.646
local terms energy: -51.840113
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -2.000
tors. eta vs tors. theta energy: -3.722
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: 8, replica: 6
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -86.156671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.156671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.156671 (E_RNA)
where:
Base-Base interactions energy: -31.820
where: short stacking energy: -30.587
Base-Backbone interact. energy: -0.112
local terms energy: -54.224919
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -7.978
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -88.217777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.217777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.217777 (E_RNA)
where:
Base-Base interactions energy: -40.088
where: short stacking energy: -38.685
Base-Backbone interact. energy: -0.378
local terms energy: -47.751368
where:
bonds (distance) C4'-P energy: -5.202
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -8.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -77.309347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.309347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.309347 (E_RNA)
where:
Base-Base interactions energy: -29.913
where: short stacking energy: -29.913
Base-Backbone interact. energy: -0.113
local terms energy: -47.282464
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -3.101
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -214.673447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.673447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.673447 (E_RNA)
where:
Base-Base interactions energy: -145.798
where: short stacking energy: -60.047
Base-Backbone interact. energy: -0.166
local terms energy: -68.709650
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -18.466
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: 2, replica: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -196.099763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.099763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.099763 (E_RNA)
where:
Base-Base interactions energy: -121.429
where: short stacking energy: -59.307
Base-Backbone interact. energy: -0.172
local terms energy: -74.498476
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -194.726044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.726044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.726044 (E_RNA)
where:
Base-Base interactions energy: -125.996
where: short stacking energy: -57.441
Base-Backbone interact. energy: -0.586
local terms energy: -68.144234
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -14.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -182.696838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.696838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.696838 (E_RNA)
where:
Base-Base interactions energy: -116.765
where: short stacking energy: -55.905
Base-Backbone interact. energy: -0.432
local terms energy: -65.499511
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -8.918
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: 5, replica: 9
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -151.491327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.491327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.491327 (E_RNA)
where:
Base-Base interactions energy: -92.104
where: short stacking energy: -48.027
Base-Backbone interact. energy: -0.065
local terms energy: -59.321817
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -106.682386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.682386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.682386 (E_RNA)
where:
Base-Base interactions energy: -37.843
where: short stacking energy: -28.886
Base-Backbone interact. energy: -0.021
local terms energy: -68.818502
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -114.873159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.873159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.873159 (E_RNA)
where:
Base-Base interactions energy: -70.085
where: short stacking energy: -39.019
Base-Backbone interact. energy: -0.167
local terms energy: -44.620814
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: 0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -82.883739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.883739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.883739 (E_RNA)
where:
Base-Base interactions energy: -30.452
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.058
local terms energy: -52.373980
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -9.555
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: 9, replica: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -76.806268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.806268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.806268 (E_RNA)
where:
Base-Base interactions energy: -31.656
where: short stacking energy: -23.852
Base-Backbone interact. energy: 0.838
local terms energy: -45.988176
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: 1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -77.966322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.966322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.966322 (E_RNA)
where:
Base-Base interactions energy: -34.541
where: short stacking energy: -23.291
Base-Backbone interact. energy: 0.323
local terms energy: -43.748804
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -0.404
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)
replica 4 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 20982952
moves confirmed later: 25221648
all moves confirmed: 46204600
percent of confirmed moves: 5.775575
current total energy: -186.596901
recalc. total energy: -186.596901
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 13958662
moves confirmed later: 15814736
all moves confirmed: 29773398
percent of confirmed moves: 3.721675
current total energy: -150.391843
recalc. total energy: -150.391843
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 20384487
moves confirmed later: 24380245
all moves confirmed: 44764732
percent of confirmed moves: 5.595592
current total energy: -170.061381
recalc. total energy: -170.061381
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 15805693
moves confirmed later: 18242195
all moves confirmed: 34047888
percent of confirmed moves: 4.255986
current total energy: -152.644762
recalc. total energy: -152.644762
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 23582360
moves confirmed later: 28645070
all moves confirmed: 52227430
percent of confirmed moves: 6.528429
current total energy: -60.108324
recalc. total energy: -60.108324
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 17548455
moves confirmed later: 20576100
all moves confirmed: 38124555
percent of confirmed moves: 4.765569
current total energy: -114.520704
recalc. total energy: -114.520704
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 21292312
moves confirmed later: 25558658
all moves confirmed: 46850970
percent of confirmed moves: 5.856371
current total energy: -46.344910
recalc. total energy: -46.344910
replica 2 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 18726401
moves confirmed later: 22172182
all moves confirmed: 40898583
percent of confirmed moves: 5.112323
current total energy: -35.297640
recalc. total energy: -35.297640
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 19760614
moves confirmed later: 23461864
all moves confirmed: 43222478
percent of confirmed moves: 5.402810
current total energy: -47.218456
recalc. total energy: -47.218456
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 22329160
moves confirmed later: 26966731
all moves confirmed: 49295891
percent of confirmed moves: 6.161986
current total energy: -39.776964
recalc. total energy: -39.776964
out arg RESULTS//1/D1-6bf795db_01
Time of doing 8000000 iterations: 1941.458 seconds